4,4'-双(4-氨基苯氧基)二苯砜

  • 基本信息
  • 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
  • 表征图谱

4,4'-双(4-氨基苯氧基)二苯砜 基本信息

中文名称:
4,4'-双(4-氨基苯氧基)二苯砜 
中文别名:
双[4-(4-氨基苯氧基)苯基]砜;
二[4-(4-氨基苯氧基)苯基]砜;
4,4’-双(4-氨基苯氧基)二苯砜;
4,4'-双(4-氨基苯氧基)二苯砜 
英文名称:
Benzenamine,4,4'-[sulfonylbis(4,1-phenyleneoxy)]bis-
英文别名:
Bis[4-(4-aminophenoxy)phenyl] Sulfone;
Bis[4-(4-Aminophenoxy)Phenyl]Sulfone;
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;
Bis[4-(4-aMinophenoxy)phenyl] Sulfone 
CAS No.:
13080-89-2
分 子 式:
C24H20N2O4S
分 子 量:
432.49
精确分子量:
432.11400
PSA:
113.02000
MDL:
MFCD00039155
EINECS:
235-986-3
InChI:
InChI=1/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
分子结构式:
SDS:
查看

4,4'-双(4-氨基苯氧基)二苯砜 物化性质

密度:
1.187g/cm3
熔点:
195 °C
沸点:
254.9ºC at 760 mmHg
闪点:
114.2ºC
折射率:
1.552
蒸汽压:
0.00869mmHg at 25°C
其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):195

5.       沸点(ºC,常压):未确定

6.       沸点(ºC15mmHg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

4,4'-双(4-氨基苯氧基)二苯砜 安全信息

海关代码:
2922299090
RTECS号:
BY8955000

4,4'-双(4-氨基苯氧基)二苯砜 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BY8955000
CHEMICAL NAME :
Aniline, 4,4'-sulfonylbis(4-phenyleneoxy)di-
CAS REGISTRY NUMBER :
13080-89-2
LAST UPDATED :
199806
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C24-H20-N2-O4-S
MOLECULAR WEIGHT :
432.52
WISWESSER LINE NOTATION :
ZR DOR DSWR DOR DZ

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 :
220 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: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
560 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: 28,313,1974
毒理学数据:

1.        急性毒性:大鼠口服LD50220mg/kg;兔子皮肤LD560mg/kg

4,4'-双(4-氨基苯氧基)二苯砜 MSDS

  Bis[4-(4-aminophenoxy)phenyl] Sulfone      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Bis[4-(4-aminophenoxy)phenyl] Sulfone    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 3
  Acute toxicity (Oral)
  Acute toxicity (Dermal)        Category 3    
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        Toxic in contact with skin and if swallowed    
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements
    Do not eat, drink or smoke when using this product.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse    
    mouth.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Remove/Take off immediately all contaminated clothing.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  [Storage]        Store locked up.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government
  Bis[4-(4-aminophenoxy)phenyl] Sulfone

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Bis[4-(4-aminophenoxy)phenyl] Sulfone    
  Percent:        >98.0%(LC)(T)    
  CAS Number:        13080-89-2    
  Chemical Formula:        C24H20N2O4S    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep    
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Bis[4-(4-aminophenoxy)phenyl] Sulfone

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.    
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        crystal - powder    
  Color:        Very pale yellow - Yellow red    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:195 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        No data available    
  Solubility:        Soluble in : Acetone    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Stability:
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulphur oxides
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-rat LD50:220 mg/kg    
    skn-rbt LD50:560 mg/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        BY8955000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):
  Bis[4-(4-aminophenoxy)phenyl] Sulfone

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        6.1: Toxic substance.    
  UN-No:        2811    
  Proper shipping name:        Toxic solid, organic, n.o.s.    
    III
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4,4'-双(4-氨基苯氧基)二苯砜 海关数据

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4,4'-双(4-氨基苯氧基)二苯砜 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:120.41

2、   摩尔体积(m3/mol):323.5

3、   等张比容(90.2K):897.7

4、   表面张力(dyne/cm):59.3

5、   极化率10-24cm3):47.73

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:2

3.氢键受体数量:6

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积113

7.重原子数量:31

8.表面电荷:0

9.复杂度:585

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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