1,1'-Biphenyl,2,4',5-trichloro-
- 中文别名：2,4,5-三氯联苯醚
- 中文释义：2,4,5-三氯联苯醚;2,4’,5-三氯联苯醚;2,4\',5-三氯联苯
- 英文别名：2,4',5-Trichlorobiphenyl;
1,4-dichloro-2-(4-chlorophenyl)benzene
- CAS No.：16606-02-3
- 分子式：
C12H7Cl3
- 分子量：257.54
- 精确分子量：255.96100
- PSA：0.00000
- InChI：The Key: VAHKBZSAUKPEOV-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.351g/cm3
- 沸点：
- 331.5ºC at 760 mmHg
- 闪点：
- 227.3ºC
- 折射率：
- 1.603
- 蒸汽压：
- 0.0003mmHg at 25°C
安全信息
- 密度：
- 1.351g/cm3
- 沸点：
- 331.5ºC at 760 mmHg
- 闪点：
- 227.3ºC
- 折射率：
- 1.603
- 蒸汽压：
- 0.0003mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DV8810000
- CHEMICAL NAME :
- Biphenyl, 2,4',5-trichloro-
- CAS REGISTRY NUMBER :
- 16606-02-3
- BEILSTEIN REFERENCE NO. :
- 1961529
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C12-H7-Cl3
- MOLECULAR WEIGHT :
- 257.54
- WISWESSER LINE NOTATION :
- GR BG DR BG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg/3D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 33,94,1975
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 21 mg/kg/84D-C
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes Brain and Coverings - changes in brain weight Liver - changes in liver weight
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,629,1977 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 120 mg/kg
- SEX/DURATION :
- female 1-6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 42,323,1978
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 78 mg/kg
- SEX/DURATION :
- female 5-21 day(s) after conception lactating female 22 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 42,275,1978 *** REVIEWS *** TOXICOLOGY REVIEW EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 24,173,1978
海关数据
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
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:15
8.表面电荷:0
9.复杂度:199
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
