海关代码：

32041300

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R45

安全说明：

7-16-53-45-36/37

RTECS号：

CX9850000

安全标志：

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）。
S53:避免暴露——使用前先阅读专门的说明。

危险标志：

T: Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

CX9850100

CHEMICAL NAME :

Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-yliden e)methyl), monohydrochloride

CAS REGISTRY NUMBER :

569-61-9

LAST UPDATED :

199710

DATA ITEMS CITED :

36

MOLECULAR FORMULA :

C19-H17-N3.Cl-H

MOLECULAR WEIGHT :

323.85

WISWESSER LINE NOTATION :

L6Y DHJ AUM DYR DZ&R DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5 gm/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 :

18200 mg/kg/13W-C

TOXIC EFFECTS :

Endocrine - thyroid weight (goiter) Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

728 mg/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - thyroid tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1714 mg/kg/43W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

364 mg/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - adrenal cortex tumors

MUTATION DATA

TYPE OF TEST :

DNA adduct

TEST SYSTEM :

Mammal - species unspecified Lymphocyte

DOSE/DURATION :

10 pph

REFERENCE :

BIPMAA Biopolymers. (John Wiley & Sons, Inc., 605 Third Ave., New York, NY 10158) V.1- 1963- Volume(issue)/page/year: 11,2537,1972 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,215,1993 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,57,1974 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,57,1974 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,215,1993 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,215,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1440 No. of Facilities: 148 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 494 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1440 No. of Facilities: 165 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 907 (estimated) No. of Female Employees: 733 (estimated)

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:4

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积75.9

7.重原子数量:23

8.表面电荷:0

9.复杂度:457

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:2

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  盐酸副蔷薇苯胺红外图谱(IR1)