CHEMICAL IDENTIFICATION

RTECS NUMBER :

AK4580000

CHEMICAL NAME :

Acetoacetanilide, 2,2'-((3,3'-dichloro-4,4'-biphenylylene)diazo)bis-

CAS REGISTRY NUMBER :

6358-85-6

LAST UPDATED :

199710

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C32-H26-Cl2-N6-O4

MOLECULAR WEIGHT :

629.54

WISWESSER LINE NOTATION :

RMVYV1&NUNR BG DR CG DNUNYV1&VMR

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 :

>10800 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

SRTCAC Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0644 No. of Facilities: 9225 (estimated) No. of Industries: 74 No. of Occupations: 65 No. of Employees: 97292 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0644 No. of Facilities: 8587 (estimated) No. of Industries: 44 No. of Occupations: 51 No. of Employees: 123270 (estimated) No. of Female Employees: 10238 (estimated)

计算化学数据

1.疏水参数计算参考值（XlogP）:8.1

2.氢键供体数量:2

3.氢键受体数量:8

4.可旋转化学键数量:11

5.互变异构体数量:78

6.拓扑分子极性表面积142

7.重原子数量:44

8.表面电荷:0

9.复杂度:979

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:2

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