5-甲基-2-硝基苯胺

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

5-甲基-2-硝基苯胺 基本信息

中文名称:
5-甲基-2-硝基苯胺 
中文别名:
5-甲基-2-硝基苯胺;
5-甲基-2-硝基苯氨;
6-硝基间甲苯胺;
3-氨基-4-硝基甲苯 
英文名称:
Benzenamine,5-methyl-2-nitro-
英文别名:
5-Methyl-2-Nitroaniline;
5-METHYL-2-NITROANILINE 
CAS No.:
578-46-1
分 子 式:

C7H8N2O2

分 子 量:
152.15
精确分子量:
152.05900
PSA:
71.84000
MDL:
MFCD00007814
EINECS:
209-423-7
BRN:
2691416
InChI:
InChI=1/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
危险品标志:

 

风险术语:

R23/24/25; R33; R51/53;

安全术语:

S28; S36/37; S45;

分子结构式:
SDS:
查看

5-甲基-2-硝基苯胺 制备方法及用途

制备方法

用于有机合成中间体

用途简介

用途

用于有机合成中间体

5-甲基-2-硝基苯胺 物化性质

密度:
1.269 g/cm3
熔点:
110-111 °C(lit.)
沸点:
312.4ºC at 760 mmHg
闪点:
142.8ºC
折射率:
1.615
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

稳定性和反应性:

要避免的物料:氧化物。

要分解的产品:一氧化碳和二氧化碳,氧化氮。

其它信息:

一、物性数据

1.       熔点(ºC):110-111

5-甲基-2-硝基苯胺 安全信息

包装等级:
III
风险类别:
6.1
海关代码:
2921430090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R23/24/25;R33;R51/53
安全说明:
S28-S36/37-S45-S61
RTECS号:
XU8060000
安全标志:
S28:接触皮肤之后,立即使用大量皂液洗涤。
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)。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
T: Toxic;N: Dangerous for the environment;

5-甲基-2-硝基苯胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU8060000
CHEMICAL NAME :
m-Toluidine, 6-nitro-
CAS REGISTRY NUMBER :
578-46-1
BEILSTEIN REFERENCE NO. :
2691416
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N2-O2
MOLECULAR WEIGHT :
152.17
WISWESSER LINE NOTATION :
WNR BZ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
500 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 4,163,1982
生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

5-甲基-2-硝基苯胺 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 5-Methyl-2-nitroaniline    
    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.        : 578-46-1    
  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, Inhalation (Category 3), H331
    Acute toxicity, Dermal (Category 3), H311
    Acute toxicity, Oral (Category 3), H301
    Specific target organ toxicity - repeated exposure (Category 2), H373
    Chronic aquatic toxicity (Category 2), H411
    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        R23/24/25    
    R33
    N Dangerous for the        R51/53    
    environment
    T Toxic        R23/24/25    
    R33
    N Dangerous for the        R51/53    
    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.    
    H311        Toxic in contact with skin.    
    H331        Toxic if inhaled.    
    H373        May cause damage to organs through prolonged or repeated exposure.    
    H411        Toxic to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P273        Avoid release to the environment.    
    P280        Wear protective gloves/ protective clothing.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P311        Call a POISON CENTER or doctor/ physician.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : 6-Nitro-m-toluidine    
    Formula        : C7H8N2O2    
    Molecular weight        : 152,15 g/mol    
    CAS-No.        : 578-46-1    
    EC-No.        : 209-423-7    
    Index-No.        : 612-025-00-X    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  5-Methyl-o-nitroaniline
    CAS-No.        578-46-1        Acute Tox. 3; STOT RE 2;        <= 100 %    
    EC-No.        209-423-7        Aquatic Chronic 2; H301 +    
    Index-No.        612-025-00-X        H311 + H331, H373, H411    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  5-Methyl-o-nitroaniline
    CAS-No.        578-46-1        T, N, T, N, R23/24/25 - R33 -        <= 100 %    
    EC-No.        209-423-7        R51/53R23/24/25 - R33 -    
    Index-No.        612-025-00-X        R51/53    
    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
    Carbon oxides, Nitrogen oxides (NOx)
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting 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.
    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.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  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 N99 (US) or type P2 (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: powder    
    Colour: orange
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        Melting point/range: 110 - 111 °C - lit.    
    point
    f) Initial boiling point and No data available
    boiling range
    g) Flash point        No data available    
    h) Evaporation 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
    Strong oxidizing agents, Strong bases
  Hazardous decomposition products
    Other decomposition products - No data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    No data available
  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
    No data available
  Specific target organ toxicity - single exposure
    No data available
  Specific target organ toxicity - repeated exposure
    May cause damage to organs through prolonged or repeated exposure.
  Aspiration hazard
    No data available
  Additional Information
    RTECS: XU8060000
    Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes
    cyanosis. Onset may be delayed 2 to 4 hours or longer., To the best of our knowledge, the chemical,
    physical, and toxicological properties have not been thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        LC50 - Pimephales promelas (fathead minnow) - 21,8 mg/l - 96,0 h    
    Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 5,8 mg/l - 48 h
    other aquatic
    invertebrates
  Persistence and degradability
    No data available
  Bioaccumulative potential
    No data available
  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
    Toxic to aquatic life with long lasting effects.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. 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: 2660        IMDG: 2660        IATA: 2660    
  UN proper shipping name
    ADR/RID: NITROTOLUIDINES (MONO)
    IMDG: NITROTOLUIDINES (MONO)
    IATA:        Nitrotoluidines (mono)    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: yes        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 Chronic        Chronic aquatic toxicity    
    H301        Toxic if swallowed.    
    H301 + H311 +        Toxic if swallowed, in contact with skin or if inhaled    
    H331
    H311        Toxic in contact with skin.    
    H331        Toxic if inhaled.    
    H373        May cause damage to organs through prolonged or repeated exposure.    
    H411        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    
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    R33        Danger of cumulative effects.    
    R51/53        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.

5-甲基-2-硝基苯胺 海关数据

中国海关编码:2921430090

概述:
2921430090 甲苯胺及其衍生物以及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
摘要/Summary:
HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-甲基-2-硝基苯胺 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:41.85

2、   摩尔体积(m3/mol):119.8

3、   等张比容(90.2K):326.2

4、   表面张力(dyne/cm):54.9

5、   极化率10-24cm3):16.59

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积71.8

7.重原子数量:11

8.表面电荷:0

9.复杂度:155

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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