3,3',4,4',5,5'-六氯联苯

3,3',4,4',5,5'-六氯联苯 基本信息
CAS号 32774-16-6 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:
32774-16-6
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分子式:
C12H4Cl6
分子量:
360.87800
中文名称:
3,3',4,4',5,5'-六氯联苯
英文名称:
3,3',4,4',5,5'-HEXACHLOROBIPHENYL
中文别名:
3,3',4,4',5,5'-六氯联苯;
3,3,4,4,5,5-六氯联苯
英文别名:
3,3',4,4',5,5'-HEXACHLOROBIPHENYL;
PCB-169;
BZ-169;
PCB NO 169;
BZNO 169;
33'44'55'-hexachlorinated biphenyl;
CB-169;
HXCB169
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: ZHLICBPIXDOFFG-UHFFFAOYSA-N

安全信息展开↓

海关代码:
2903999090

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV5355000
CHEMICAL NAME :
Biphenyl, 3,3',4,4',5,5'-hexachloro-
CAS REGISTRY NUMBER :
32774-16-6
BEILSTEIN REFERENCE NO. :
1990183
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H4-Cl6
MOLECULAR WEIGHT :
360.86
WISWESSER LINE NOTATION :
GR BG CG DR CG DG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
223 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSSID2 Pergamon Series on Environmental Science. (Oxford, UK) V.1-7, 1978-82. Discontinued. Volume(issue)/page/year: 5,367,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
58800 ug/kg/28D-C
TOXIC EFFECTS :
Liver - multiple effects Endocrine - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 58,461,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
12700 mg/kg/19W-C
TOXIC EFFECTS :
Liver - changes in liver weight Skin and Appendages - nails Related to Chronic Data - death
REFERENCE :
AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 16,53,1987 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
37800 ug/kg
SEX/DURATION :
female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - behavioral Reproductive - Effects on Newborn - other postnatal measures or effects
REFERENCE :
CMSHAF Chemosphere. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1972- Volume(issue)/page/year: 27,395,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - hepatobiliary system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 61,269,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
80 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)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 61,269,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
40 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
APTOD9 Abstracts of Papers, Society of Toxicology. Annual Meetings. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) Volume(issue)/page/year: 19,A22,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
APTOD9 Abstracts of Papers, Society of Toxicology. Annual Meetings. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) Volume(issue)/page/year: 19,A22,1980

海关数据查看详细

中国海关编码:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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:234

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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