盐(8CI,9CI)砷酸(H3酶并4),铅

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学

盐(8CI,9CI)砷酸(H3酶并4),铅 基本信息

中文名称:
盐(8CI,9CI)砷酸(H3酶并4),铅 
中文别名:
盐(8CI,9CI)砷酸(H3酶并4),铅 
英文名称:
Fluoranthene,3,7-dinitro-
英文别名:
3,7-Dinitrofluoranthene;
3,7-Dinitro-fluoranthene;
Fluoranthene,3,7-dinitro 
CAS No.:
105735-71-5
分 子 式:
C16H8N2O4
分 子 量:
292.26
精确分子量:
292.04800
PSA:
91.64000
安全术语:
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
分子结构式:
SDS:
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盐(8CI,9CI)砷酸(H3酶并4),铅 物化性质

密度:
1.574g/cm3
沸点:
525.6ºC at 760mmHg
闪点:
268.2ºC
折射率:
1.887
蒸汽压:
1.3E-10mmHg at 25°C

盐(8CI,9CI)砷酸(H3酶并4),铅 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LL4385000
CHEMICAL NAME :
Fluoranthene, 3,7-dinitro-
CAS REGISTRY NUMBER :
105735-71-5
LAST UPDATED :
199606
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C16-H8-N2-O4
MOLECULAR WEIGHT :
292.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 ug/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2500 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 298,255,1993 *** REVIEWS *** IARC Cancer Review:Animal Limited 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: 46,189,1989 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: 65,297,1996 IARC Cancer Review:Human No Adequate Data 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: 46,189,1989 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: 65,297,1996 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: 65,297,1996

盐(8CI,9CI)砷酸(H3酶并4),铅 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):4.2

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:91.6

7.重原子数量:22

8.表面电荷:0

9.复杂度:486

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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