3-氨基-3-(2-硝基苯基)丙酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

3-氨基-3-(2-硝基苯基)丙酸 基本信息

中文名称:
3-氨基-3-(2-硝基苯基)丙酸 
中文别名:
脱叶磷;
脱叶灵;
三丁磷;
S,S,S-三丁基-三硫代磷酸酯;
落叶磷;
S,S,S-三丁基三硫磷酸酯;
脱叶膦;
1,2,4-三丁基三硫磷酸酯 
英文名称:
Phosphorotrithioicacid, S,S,S-tributyl ester
英文别名:
tribufos;
butifos;
TBTP;
DEF;
tuoyelin;
TRIBUFOS;
DEF 6;
Butifos;
Fosfall;
Butiphos;
B-1,776;
1,2,4-Tributylphosphorotrithioate;
DEGREEN;
S,S,S-tributyl phosphorotrithioate;
trithiophosphoric acid tri-S-butyl ester;
merphos oxide 
CAS No.:
78-48-8
分 子 式:
C12H27OPS3
分 子 量:
314.51
精确分子量:
314.09600
PSA:
102.78000
EINECS:
201-120-8
InChI:
The Key: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
危险品标志:
Xi:Irritant
风险术语:
R36/37/38;
安全术语:
S26; S37/39;
分子结构式:
SDS:
查看

3-氨基-3-(2-硝基苯基)丙酸 制备方法及用途

制备方法

由丁硫醇和三氯氧磷反应而得。

合成制备方法

由丁硫醇和三氯氧磷反应而得。

用途简介

具有广谱增效活性,用于拟除虫菊酯类和有机磷类杀虫剂的增效。

用途

具有广谱增效活性,用于拟除虫菊酯类和有机磷类杀虫剂的增效。

3-氨基-3-(2-硝基苯基)丙酸 物化性质

密度:
1.074 g/cm3
熔点:
Below -25ºC
沸点:
407.8ºC at 760 mmHg
闪点:
200.4ºC
折射率:
1.516
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

又称脱叶磷。浅黄色透明液体。有硫醇臭味。沸点150400Pa)。凝固点-25以下。相对密度1.057。折射率1.532,闪点>200(闭环)。难溶于水。溶于丙酮、乙醇、苯、二甲苯、已烷、煤油、柴油、石脑油和甲基萘。对热和酸性介质稳定,在碱性介质中能缓慢分解。大鼠急性口服LD50325mg/kg,急性经皮LD50850mg/kg。对皮肤有刺激性。工作环境允许浓度<0.5mg/m3。对鱼类高毒。

其它信息:

       1.      性状:浅黄色透明液体

2.      密度(g/mL,25/4℃):1.057

3.      相对蒸汽密度(g/mL,空气=1):不确定

4.      熔点(ºC):<-25

5.      沸点(ºC,常压):150℃(400Pa

6.      沸点(ºC,5.2kPa):不确定

7.      折射率:1.532

8.      闪点(ºC):>200℃(闭环)

9.      比旋光度(º):不确定

10.   自燃点或引燃温度(ºC):不确定

11.   蒸气压(kPa,25ºC):不确定

12.   饱和蒸气压(kPa,60ºC):不确定

13.   燃烧热(KJ/mol):不确定

14.   临界温度(ºC):不确定

15.   临界压力(KPa):不确定

16.   油水(辛醇/水)分配系数的对数值:不确定

17.   爆炸上限(%,V/V):不确定

18.   爆炸下限(%,V/V):不确定

19.   溶解性:溶于丙酮、乙醇、苯、二甲苯、已烷、煤油、柴油、石脑油和甲基萘。对热和酸性介质稳定,在碱性介质中能缓慢分解。

3-氨基-3-(2-硝基苯基)丙酸 安全信息

包装等级:
II
风险类别:
6.1(a)
危险类别码:
R24/25
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T: Toxic;

3-氨基-3-(2-硝基苯基)丙酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TG5425000
CHEMICAL NAME :
Phosphorotrithioic acid, S,S,S-tributyl ester
CAS REGISTRY NUMBER :
78-48-8
LAST UPDATED :
199710
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C12-H27-O-P-S3
MOLECULAR WEIGHT :
314.54
WISWESSER LINE NOTATION :
4SPO&S4&S4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,515,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
168 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - irritability Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 20,161,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
77 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1188,1986
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3804 mg/m3/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,199,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
285 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 12,73,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
242 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - incontinence
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 11(4),11,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
97 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,44,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,44,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - irritability Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 20,161,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Spinal Cord - demyelination Behavioral - ataxia
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 48,A195,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,376,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1230 mg/kg/43W-I
TOXIC EFFECTS :
Gastrointestinal - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - peptidases
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,96,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4535 mg/kg/17W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 11(4),11,1967
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 ug/m3/24H/95D-C
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 33(12),8,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
1800 mg/kg/90D-C
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - ataxia Related to Chronic Data - death
REFERENCE :
TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 14,229,1979 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
216 mg/kg
SEX/DURATION :
female 8 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
MZUZA8 Meditsinskii Zhurnal Uzbekistana. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) No.1- 1957- Volume(issue)/page/year: (2),48,1980 *** REVIEWS *** TOXICOLOGY REVIEW MZUZA8 Meditsinskii Zhurnal Uzbekistana. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) No.1- 1957- Volume(issue)/page/year: (8),90,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

3-氨基-3-(2-硝基苯基)丙酸 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 1,2,4-Tributyl phosphorotrithioate    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 78-48-8    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Oral (Category 3), H301
    Acute toxicity, Dermal (Category 2), H310
    Acute aquatic toxicity (Category 1), H400
    Chronic aquatic toxicity (Category 1), H410
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    T Toxic        R24/25    
    N Dangerous for the        R50/53    
    environment
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H310        Fatal in contact with skin.    
    H410        Very toxic to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P273        Avoid release to the environment.    
    P280        Wear protective gloves/ protective clothing.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P302 + P350        IF ON SKIN: Gently wash with plenty of soap and water.    
    P310        Immediately call a POISON CENTER or doctor/ physician.    
    P501        Dispose of contents/ container to an approved waste disposal plant.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : 1,2,4-Tributyl phosphorotrithioate    
    CAS-No.        : 78-48-8    
    EC-No.        : 201-120-8    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  S,S,S-Tributylphosphorotrithioate
    CAS-No.        78-48-8        Acute Tox. 3; Acute Tox. 2; <= 100 %    
    EC-No.        201-120-8        Aquatic Acute 1; Aquatic    
    Chronic 1; H301, H310, H410
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  S,S,S-Tributylphosphorotrithioate
    CAS-No.        78-48-8        T, N, R24/25 - R50/53        <= 100 %    
    EC-No.        201-120-8    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    no data available
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
    the environment must be avoided.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    no data available
  Hazardous decomposition products
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 150 mg/kg
    LD50 Dermal - rabbit - 97 mg/kg
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    Reproductive toxicity - rat - Oral
    Maternal Effects: Ovaries, fallopian tubes. Maternal Effects: Uterus, cervix, vagina.
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: TG5425000

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        LC50 - Oncorhynchus mykiss (rainbow trout) - 0,31 mg/l - 96 h    
    Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 0,007 mg/l - 48 h
    other aquatic
    invertebrates
  Persistence and degradability
    no data available
  Bioaccumulative potential
    Bioaccumulation        Oncorhynchus mykiss (rainbow trout) - 60 d    
    - 1,2 µg/l
    Bioconcentration factor (BCF): 1.084
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    Very toxic to aquatic life with long lasting effects.
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2811        IMDG: 2811        IATA: 2811    
  UN proper shipping name
    ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (S,S,S-Tributylphosphorotrithioate)
    IMDG: TOXIC SOLID, ORGANIC, N.O.S. (S,S,S-Tributylphosphorotrithioate)
    IATA:        Toxic solid, organic, n.o.s. (S,S,S-Tributylphosphorotrithioate)    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: yes        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Aquatic Acute        Acute aquatic toxicity    
    Aquatic Chronic        Chronic aquatic toxicity    
    H301        Toxic if swallowed.    
    H310        Fatal in contact with skin.    
    H400        Very toxic to aquatic life.    
    H410        Very toxic to aquatic life with long lasting effects.    
  Full text of R-phrases referred to under sections 2 and 3
    N        Dangerous for the environment    
    T        Toxic    
    R24/25        Toxic in contact with skin and if swallowed.    
    R50/53        Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic    
    environment.
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

3-氨基-3-(2-硝基苯基)丙酸 分子结构与计算化学数据

分子结构数据

 

1、  摩尔折射率:88.50

2、  摩尔体积(m3/mol):292.6

3、  等张比容(90.2K):733.6

4、  表面张力(dyne/cm):39.4

5、  极化率10-24cm3):35.08

计算化学数据

1、 疏水参数计算参考值(XlogP):3.2

2、 氢键供体数量:0

3、 氢键受体数量:1

4、 可旋转化学键数量:12

5、 拓扑分子极性表面积(TPSA):17.1

6、 重原子数量:17

7、 表面电荷:0

8、 复杂度:179

9、 同位素原子数量:0

10、确定原子立构中心数量:0

11、不确定原子立构中心数量:0

12、确定化学键立构中心数量:0

13、不确定化学键立构中心数量:0

14、共价键单元数量:1

3-氨基-3-(2-硝基苯基)丙酸 上游产品

3-氨基-3-(2-硝基苯基)丙酸 表征图谱

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