合成制备方法

暂无

用途

暂无

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ST3325000

CHEMICAL NAME :

m-Phenylenediamine, 4-(phenylazo)-

CAS REGISTRY NUMBER :

495-54-5

BEILSTEIN REFERENCE NO. :

0745990

LAST UPDATED :

199710

DATA ITEMS CITED :

10

MOLECULAR FORMULA :

C12-H12-N4

MOLECULAR WEIGHT :

212.28

WISWESSER LINE NOTATION :

ZR CZ DNUNR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1650 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1667 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1667 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :

Unscheduled DNA synthesis

TEST SYSTEM :

Rodent - rat Liver

DOSE/DURATION :

500 ng/well

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 240,227,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4477 No. of Facilities: 22 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 759 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4477 No. of Facilities: 2 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 12 (estimated) No. of Female Employees: 7 (estimated)

毒理学数据：

1、皮肤/眼睛刺激数据：标准Draize测试兔子直接接触皮肤：20mg/24HREACTION SEVERITY：中度

2、急性毒性：大鼠经口LD50：1650mg/kg，除致死剂量外无详细说明；

小鼠经口LD50：1667mg/kg，除致死剂量外无详细说明；

小鼠经皮下LDLo：1667mg/kg，除致死剂量外无详细说明；

3、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：50ug/plate；

非程序DNA synthesisTEST系统：啮齿动物-鼠肝：50ng/well。

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。

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）:2.3

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:12

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:235

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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  4-二胺偶氮苯红外图谱(IR1)