2,4,5-三氯联苯醚

2,4,5-三氯联苯醚 基本信息
CAS号 16606-02-3 分子式 C12H7Cl3
分子量 257.54300 精确质量  255.96100
PSA  0.00000 LogP  5.31380

基本信息 展开↓

CAS号:
16606-02-3
3D弹球模型:
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分子式:
C12H7Cl3
分子量:
257.54300
中文名称:
2,4,5-三氯联苯醚
英文名称:
2,4',5-Trichlorobiphenyl
中文别名:
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
精确分子量/精确质量:
255.96100
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: VAHKBZSAUKPEOV-UHFFFAOYSA-N

物化性质展开↓

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

安全信息展开↓

海关代码:
2903999090
危险类别码:
R33
安全说明:
S35
危险标志:
N: Dangerous for the environment;

合成路线查看所有的合成路线

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    2-溴-1,4-二氯苯

  • +

  • 1679-18-1

    4-氯苯硼酸

  • ~60%

  • 16606-02-3

    2,4,5-三氯联苯醚

  • 106-46-7

    对二氯苯

  • +

  • 94-17-7

    过氧化对氯苯甲酰

  • 16606-02-3

    2,4,5-三氯联苯醚

  • 106-46-7

    对二氯苯

  • +

  • 673-41-6

    673-41-6

  • 16606-02-3

    2,4,5-三氯联苯醚

毒理性展开↓

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: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

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