2,2',3,3',4,4'-六氯联苯

2,2',3,3',4,4'-六氯联苯 基本信息
CAS号 38380-07-3 分子式 C12H4Cl6
分子量 360.87800 精确质量  357.84400
PSA  0.00000 LogP  7.27400

基本信息 展开↓

CAS号:
38380-07-3
3D弹球模型:
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分子式:
C12H4Cl6
分子量:
360.87800
中文名称:
2,2',3,3',4,4'-六氯联苯
英文名称:
2,2',3,3',4,4'-Hexachlorobiphenyl
中文别名:
2,2',3,3',4,4'-六氯联苯;
六氯联苯
英文别名:
2,2',3,3',4,4'-Hexachlorobiphenyl;
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene
精确分子量/精确质量:
357.84400
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: BTAGRXWGMYTPBY-UHFFFAOYSA-N

物化性质展开↓

密度:
1.593 g/cm3
沸点:
403.8ºC at 760 mmHg
闪点:
198.9ºC

合成路线查看所有的合成路线

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    2,2',3,3',4,4'-六氯联苯

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    1,2,3-三氯苯

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    2,2,3,3,4,4,5-七氯联苯

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    2,2',3,3',4,4'-六氯联苯

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    2,2',3,3',4,4',5,6-八氯联苯

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    FireMaster FF 1.

毒理性展开↓

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

分子结构与计算化学数据展开↓

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

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