六氯联苯
- 中文名称：
- 六氯联苯
- 中文别名：
- 2,2',3,3',4,4'-六氯联苯;
六氯联苯
- 英文名称：
- 1,1'-Biphenyl,2,2',3,3',4,4'-hexachloro-
- 英文别名：
- 2,2',3,3',4,4'-Hexachlorobiphenyl;
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene
- CAS No.：
- 38380-07-3
- 分 子 式：
-
C12H4Cl6
- 分 子 量：
- 360.86
- 精确分子量：
- 357.84400
- PSA：
- 0.00000
- InChI：
- The Key: BTAGRXWGMYTPBY-UHFFFAOYSA-N3
- 风险术语：
- 33-50/53
- 安全术语：
- An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic vapors of Cl−.
- 分子结构式：
-
- SDS：
- 查看
六氯联苯 物化性质
- 密度：
- 1.593 g/cm3
- 沸点：
- 403.8ºC at 760 mmHg
- 闪点：
- 198.9ºC
六氯联苯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DV5357000
- CHEMICAL NAME :
- 1,1'-Biphenyl, 2,2',3,3',4,4'-hexachloro-
- CAS REGISTRY NUMBER :
- 38380-07-3
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C12-H4-Cl6
- MOLECULAR WEIGHT :
- 360.86
- WISWESSER LINE NOTATION :
- GR BG CG DR BG CG DG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 383 mg/kg/13W-C
- TOXIC EFFECTS :
- Liver - other changes
Endocrine - other changes
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation,
etc.)
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub.,
1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76-
Volume(issue)/page/year: 51,265,1997
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 1470 mg/kg/21D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - cytochrome oxidases (including oxidative phosphorylation)
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - transaminases
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
36,81,1976
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 320 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
Reproductive - Specific Developmental Abnormalities - urogenital system
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 21,54A,1980
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1280 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 21,54A,1980
六氯联苯 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）:无
2.氢键供体数量:0
3.氢键受体数量:0
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积:0
7.重原子数量:18
8.表面电荷:0
9.复杂度:258
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
