4,4’-偶氮二苯胺

4,4’-偶氮二苯胺 基本信息
CAS号 538-41-0 分子式 C12H12N4
分子量 212.25000 精确质量 　212.10600
PSA 　76.76000 LogP 　4.42880
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等价的CAS号：

538-41-0,98043-56-2,137692-67-2
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
538-41-0
3D弹球模型：
立即前往扯扯看
分子式：
C12H12N4
分子量：
212.25000
中文名称：
4,4’-偶氮二苯胺
英文名称：
4,4'-diaminoazobenzene
中文别名：
4,4’-偶氮二苯胺;
4,4'-偶氮二苯胺;
对二氨基偶氮苯
英文别名：
4,4'-diaminoazobenzene;
4-[(4-aminophenyl)diazenyl]aniline;
4,4′-Diaminoazobenzene;
4,4‘-Azodianiline;
4,4-Azodianiline
精确分子量/精确质量：
212.10600
极性分子表面积/PSA：
76.76000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00041892
EINECS：
208-690-7
BRN：
745553
InChI：
The Key: KQIKKETXZQDHGE-FOCLMDBBSA-N

生产制备方法及用途展开↓

合成制备方法

暂无

用途

暂无

物化性质展开↓

密度：
1.23g/cm3
熔点：
245ºC
沸点：
428.5ºC at 760 mmHg
闪点：
213ºC
折射率：
1.65
存储条件/存储方法：
通风低温干燥,与库房食品原料分开放
稳定性相关：

按要求保存是不会发生分解或者反应的，远离氧化物。

其它信息：

1.       性状：未确定

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：245

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：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（kPa,25ºC）：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

安全信息展开↓

包装等级：
III
风险类别：
6.1
海关代码：
2927000090
危险类别码：
40-25
RTECS号：
BW7450000
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）。

合成路线查看所有的合成路线

  • 730-40-5

    分散橙 3

  • →

    ~90%

  • 538-41-0

    4,4’-偶氮二苯胺

  • 100-01-6

    4-硝基苯胺

  • →

    ~83%

  • 538-41-0

    4,4’-偶氮二苯胺

  • 106-50-3

    对苯二胺

  • →

    ~82%

  • 538-41-0

    4,4’-偶氮二苯胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BW7450000
CHEMICAL NAME :
Aniline, 4,4'-azodi-
CAS REGISTRY NUMBER :
538-41-0
BEILSTEIN REFERENCE NO. :
0745553
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H12-N4
MOLECULAR WEIGHT :
212.28
WISWESSER LINE NOTATION :
ZR DNUNR DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 4,115,1989
毒理学数据：

1、   急性毒性：小鼠经静脉LD50：180mg/kg,，除致死剂量外无详细说明；

2、致突变数据：微生物机体TEST系统突变：细菌-鼠伤寒沙门氏杆菌：100 ug/plate；

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 4 4 -Azodianiline 95% (Titr.) Material Safety Data Sheet
Synonym: 4,4'-Azobisbenzenamine; 4,4'-Diaminoazobenzene
CAS: 538-41-0
Section 1 - Chemical Product   MSDS Name:4 4 -Azodianiline 95% (Titr.) Material Safety Data Sheet
Synonym:4,4'-Azobisbenzenamine; 4,4'-Diaminoazobenzene
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
538-41-0 4,4'-Azodianiline 95 208-690-7
Hazard Symbols: T
Risk Phrases: 25 40
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed. Limited evidence of a carcinogenic effect.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood. Overexposure may cause methemoglobinemia.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown blood. Inhalation of aniline causes anoxia due to the formation of methemoglobin.
Chronic:
May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood.
Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 538-41-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: almost white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 245 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >285 deg C
Solubility in water: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: C12H12N4
Molecular Weight: 212.25
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, temperatures above 250C, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 538-41-0: BW7450000 LD50/LC50:
Not available.
Carcinogenicity:
4,4'-Azodianiline - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 538-41-0: No information available.
Canada
CAS# 538-41-0 is listed on Canada's NDSL List.
CAS# 538-41-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 538-41-0 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2927000090

概述：
2927000090 其他重氮化合物、偶氮化合物等（包括氧化偶氮化合物）. 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
摘要/Summary：
2927000090 other diazo-, azo- or azoxy-compounds。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：62.68

2、   摩尔体积（m3/mol）：171.7

3、   等张比容（90.2K）：461.9

4、   表面张力（dyne/cm）：52.3

5、   极化率（10-24cm3）：24.85

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:4

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积76.8

7.重原子数量:16

8.表面电荷:0

9.复杂度:201

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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