447-14-3

• 常用中文名：1,2,2-三氟苯乙烯
• 常用英文名：(Trifluorovinyl)benzene
• CAS号：447-14-3
• 分子式：C₈H₅F₃
• 分子量：158.120
• 发布时间：2018-06-19 18:10:08
• 更新时间：2024-01-31 07:18:53

名称

• 中文名: 1,2,2-三氟苯乙烯
• 英文名: 1,2,2-trifluoroethenylbenzene
• 中文别名: (1,2,2-三氟乙烯基)苯
• 英文别名: (Trifluoroethenyl)benzene; α,β,β-Trifluorostyrene; Styrene, α,β,β-trifluoro-; 1',2',2'-Trifluorostyrene; Benzene, (1,2,2-trifluoroethenyl)-; EINECS 207-180-1; (1,2,2-trifluorovinyl)benzene; (Trifluorovinyl)benzene; Benzene,(trifluoroethenyl); (1,1,2-trifluorovinyl)benzene; Trifluorostyrene

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 141.2±40.0 °C at 760 mmHg
• 熔点: -23.5ºC
• 分子式: C₈H₅F₃
• 分子量: 158.120
• 闪点: 32.2±15.3 °C
• 精确质量: 158.034332
• LogP: 2.88
• 蒸汽压: 7.4±0.3 mmHg at 25°C
• 折射率: 1.459
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:0

  3.氢键受体数量:3

  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:11

  8.表面电荷:0

  9.复杂度:153

  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

CHEMICAL IDENTIFICATION RTECS NUMBER : WL6478050 CHEMICAL NAME : Styrene, alpha,beta,beta-trifluoro- CAS REGISTRY NUMBER : 447-14-3 BEILSTEIN REFERENCE NO. : 1908586 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C8-H5-F3 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(5),55,1976 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8 gm/m3/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(5),55,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 800 mg/m3/4H/4W-I TOXIC EFFECTS : Brain and Coverings - recordings from specific areas of CNS Kidney, Ureter, Bladder - other changes in urine composition REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(5),55,1976 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 20 mg/m3/4H/17W-I TOXIC EFFECTS : Endocrine - effect on menstrual cycle REFERENCE : TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 15,84,1979

安全

• 危害码 (欧洲): F: Flammable;
• 风险声明 (欧洲): 10
• 危险品运输编码: UN 1993
• 海关编码: 2903999090

合成路线

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海关

海关编码	2903999090
中文概述	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
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%