75-81-0

• 常用中文名：1,2-二溴-1,1-二氯乙烷
• 常用英文名：Ethane,1,2-dibromo-1,1-dichloro-
• CAS号：75-81-0
• 分子式：C₂H₂Br₂Cl₂
• 分子量：256.75100
• 相关类别： 天然产物 生物碱
• 发布时间：2018-06-21 20:08:24
• 更新时间：2024-01-13 17:54:48

名称

• 中文名: 1,2-二溴-1,1-二氯乙烷
• 英文名: 1,2-dibromo-1,1-dichloroethane
• 英文别名: 1,2-Dibrom-1,1-dichlor-aethan; 1,2-dibromo-1,1-dichloro-ethan; 1,2-dibromo-2,2-dichloroethane; MFCD00053228; ethane,1,2-dibromo-1,1-dichloro; 1,2-Dibrom-1,1-dichlor-ethan; 1,1-Dichlor-1,2-dibrom-ethan; EINECS 200-904-7; 1,2-Dibrom-2,2-dichlor-ethan; 1,2-dibromo-1,1-dichloro-ethane

物化性质

• 密度: 2.318g/cm3
• 沸点: 176.2ºC at 760 mmHg
• 熔点: 136-138°C
• 分子式: C₂H₂Br₂Cl₂
• 分子量: 256.75100
• 闪点: 68.8ºC
• 精确质量: 253.79000
• LogP: 2.90760
• 折射率: 1.572
• 分子结构:

  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 ^-24cm ³）：14.44

• 计算化学:

  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

毒性和生态

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 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

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 2810
• 包装等级: III
• 危险类别: 6.1

合成路线

75-35-4 ~91% 75-81-0

文献：Skell, Philip S.; May, Donald D. Journal of the American Chemical Society, 1983 , vol. 105, # 12 p. 3999 - 4008

75-34-3 ~% 75-81-0

文献：Staedel; Denzel Justus Liebigs Annalen der Chemie, 1879 , vol. 195, p. 193