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- 1,2-二溴-1,1-二氯乙烷
1,2-二溴-1,1-二氯乙烷
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
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1,2-二溴-1,1-二氯乙烷 基本信息
- 中文名称:
- 1,2-二溴-1,1-二氯乙烷
- 中文别名:
- 1,2-二溴-1,1-二氯乙烷;
1,2-Dibromo-2,2-dichloroethane 1,2-dibromo-1,1-dichloro-ethane
- 英文名称:
- Ethane,1,2-dibromo-1,1-dichloro-
- 英文别名:
- 1,2-DIBROMO-1,1-DICHLOROETHANE;
ethane,1,2-dibromo-1,1-dichloro;
1,2-Dibrom-1,1-dichlor-aethan;
1,2-Dibrom-1,1-dichlor-ethan;
1,2-Dibrom-2,2-dichlor-ethan;
1,2-dibromo-2,2-dichloroethane;
1,1-Dichlor-1,2-dibrom-ethan;
1,2-dibromo-1,1-dichloro-ethan;
1,2-dibromo-1,1-dichloro-ethane
- CAS No.:
- 75-81-0
- 分 子 式:
- C2H2Br2Cl2
- 分 子 量:
- 256.75
- 精确分子量:
- 253.79000
- PSA:
- 0.00000
- MDL:
- MFCD00053228
- EINECS:
- 200-904-7
- InChI:
- The Key: FIYBYNHDEOSJPL-UHFFFAOYSA-N
- 风险术语:
- R36/37/38
- 安全术语:
- S26S36/S37/S39
- 分子结构式:
-
- SDS:
- 查看
1,2-二溴-1,1-二氯乙烷 物化性质
- 密度:
- 2.318g/cm3
- 熔点:
- 136-138°C
- 沸点:
- 176.2ºC at 760 mmHg
- 闪点:
- 68.8ºC
- 折射率:
- 1.572
- 其它信息:
1,2-二溴-1,1-二氯乙烷 安全信息
- 包装等级:
- III
- 风险类别:
- 6.1
- 危险类别码:
- 36/37/38
- 安全说明:
- S26-S36/37/39
- 安全标志:
- S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
1,2-二溴-1,1-二氯乙烷 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KH9325000
- CHEMICAL NAME :
- Ethane, 1,2-dibromo-1,1-dichloro-
- CAS REGISTRY NUMBER :
- 75-81-0
- BEILSTEIN REFERENCE NO. :
- 1697498
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C2-H2-Br2-Cl2
- MOLECULAR WEIGHT :
- 256.76
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides
and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
Washington, DC 20460) History unknown. Volume(issue)/page/year:
8EHQ-0492-3599INIT
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides
and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
Washington, DC 20460) History unknown. Volume(issue)/page/year:
8EHQ-0492-3599INIT
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 205 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides
and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
Washington, DC 20460) History unknown. Volume(issue)/page/year:
8EHQ-0492-3599 INIT
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 83 ppm/6H
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides
and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
Washington, DC 20460) History unknown. Volume(issue)/page/year:
8EHQ-0492-3599INIT
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - Straub tail
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides
and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
Washington, DC 20460) History unknown. Volume(issue)/page/year:
8EHQ-0492-3599INIT
- 毒理学数据:
1、急性毒性
大鼠口径LD50:205mg/kg
大鼠吸入LC50: 83 ppm/6H
兔子皮肤LD50:500mg/kg
1,2-二溴-1,1-二氯乙烷 分子结构与计算化学数据
分子结构数据
五、分子性质数据:
1、 摩尔折射率:36.44
2、 摩尔体积(m3/mol):110.7
3、 等张比容(90.2K):287.9
4、 表面张力(dyne/cm):45.7
5、 极化率(10-24cm3):14.44
计算化学数据
1.疏水参数计算参考值(XlogP):3
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:6
8.表面电荷:0
9.复杂度:44.8
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