WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R43

安全说明：

S22-S24/25-S36/37

RTECS号：

DB7329500

安全标志：

:
S24/25:防止皮肤和眼睛接触。
S22:不要吸入粉尘。

危险标志：

Xi

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DB7329500

CHEMICAL NAME :

Benzenesulfonic acid, 3-((4-(phenylamino)phenyl)azo)-, monosodium salt

CAS REGISTRY NUMBER :

587-98-4

LAST UPDATED :

199709

DATA ITEMS CITED :

15

MOLECULAR FORMULA :

C18-H14-N3-O3-S.Na

MOLECULAR WEIGHT :

375.40

WISWESSER LINE NOTATION :

WSO&R CNUNR DMR &-NA-

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 :

5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1800 mg/kg/90D-C

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes Autonomic Nervous System - sympathomimetic Behavioral - alteration of operant conditioning

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6450 mg/kg/15D-I

TOXIC EFFECTS :

Gastrointestinal - other changes Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

240 mg/kg/3D-I

TOXIC EFFECTS :

Liver - other changes Biochemical - Metabolism (Intermediary) - lipids including transport

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

540 gm/kg/26W-C

TOXIC EFFECTS :

Blood - normocytic anemia Blood - changes in other cell count (unspecified) Blood - changes in erythrocyte (RBC) count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

162 gm/kg

SEX/DURATION :

male 90 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

TYPE OF TEST :

Cytogenetic analysis

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

5 mg/kg

REFERENCE :

CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 31,299,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1438 No. of Facilities: 455 (estimated) No. of Industries: 10 No. of Occupations: 22 No. of Employees: 5070 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1438 No. of Facilities: 2370 (estimated) No. of Industries: 32 No. of Occupations: 33 No. of Employees: 52679 (estimated) No. of Female Employees: 18156 (estimated)

毒理学数据：

毒性：半数致死量（小鼠，腹腔）LC50:1000mg/kg。

计算化学数据

四、计算化学数据：

2、   氢键供体数量：1

3、   氢键受体数量：6

4、   可旋转化学键数量：5

5、   拓扑分子极性表面积（TPSA）：94

6、   重原子数量：26

7、   表面电荷：0

8、   复杂度：538

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：2

• 
  间胺黄红外图谱(IR1)
• 
  间胺黄红外图谱(IR2)