2,2’-二氯联苯

2,2’-二氯联苯 基本信息
CAS号 13029-08-8 分子式 C12H8Cl2
分子量 223.10213 精确质量  222.00031
PSA  0.00 A2 LogP  4.648±0.264

基本信息 展开↓

CAS号:
13029-08-8
3D弹球模型:
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分子式:
C12H8Cl2
分子量:
223.10213
中文名称:
2,2’-二氯联苯
英文名称:
1,1'-Biphenyl, 2,2'-dichloro-
中文别名:
2,2’-二氯联苯;
多氯联苯;
2,2'-二氯联苯;
2,2-二氯联苯
英文别名:
1,1'-Biphenyl, 2,2'-dichloro-;
2,2'-Dichlorobiphenyl;
1-chloro-2-(2-chlorophenyl)benzene
精确分子量/精确质量:
222.00031
极性分子表面积/PSA:
0.00 A2
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。
EINECS:
215-648-1
InChI:
The Key: JAYCNKDKIKZTAF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.249±0.06 g/cm3
熔点:
52-55 °C
沸点:
289.1±15.0 °C
闪点:
122.4±13.9 °C
水溶解性:
Sparingly Soluble (7.8E-4 g/L)
折射率:
1.594
蒸汽压:
0.00389mmHg at 25°C
蒸汽密度:
3.89E-3 Torr

安全信息展开↓

包装等级:
II
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-溴氯苯

  • ~91%

  • 13029-08-8

    2,2’-二氯联苯

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    2-氯苯基碘化锌

  • ~88%

  • 13029-08-8

    2,2’-二氯联苯

  • 1956-97-4

    2-chlorophenyldiazonium tetrafluoroborate

  • ~82%

  • 13029-08-8

    2,2’-二氯联苯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV3900000
CHEMICAL NAME :
Biphenyl, 2,2'-dichloro-
CAS REGISTRY NUMBER :
13029-08-8
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H8-Cl2
MOLECULAR WEIGHT :
223.10

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 :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes
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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
25 mg/kg/20D-I
TOXIC EFFECTS :
Immunological Including Allergic - decrease in humoral immune response
REFERENCE :
JEPOEC Journal of Environmental Pathology, Toxicology and Oncology. (Chem-Orbital, POB 134, Park Forest, IL 60466) V.5(4)- 1984- Volume(issue)/page/year: 9,283,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
25 mg/kg/20D-I
TOXIC EFFECTS :
Liver - other changes
REFERENCE :
JEPOEC Journal of Environmental Pathology, Toxicology and Oncology. (Chem-Orbital, POB 134, Park Forest, IL 60466) V.5(4)- 1984- Volume(issue)/page/year: 12,17,1993 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1125 mg/kg
SEX/DURATION :
female 1-3 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 - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 40,249,1978
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 mg/kg
SEX/DURATION :
female 1-3 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 :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 40,249,1978
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1125 mg/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition
REFERENCE :
BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 16,33,1976

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:14

8.表面电荷:0

9.复杂度:161

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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