76855-01-1

• 常用中文名：Thiocyanic acid, 3-chloro-2-propenyl ester
• 常用英文名：Thiocyanic acid, 3-chloro-2-propenyl ester
• CAS号：76855-01-1
• 分子式：C₄H₄ClNS
• 分子量：133.59900
• 发布时间：2017-09-27 08:22:21
• 更新时间：2025-08-28 10:22:59

名称

• 英文名: [(E)-3-chloroprop-2-enyl] thiocyanate
• 英文别名: 3-chloro-allyl thiocyanate; Thiocyanic acid,3-chloro-2-propenyl ester; 3-Chlor-allylthiocyanat; Thiocyanic acid,3-chloroallyl ester; 3-chloroprop-2-en-1-yl thiocyanate; 1-Chlor-3-thiocyanatopropen

物化性质

• 密度: 1.249g/cm3
• 沸点: 224.3ºC at 760 mmHg
• 分子式: C₄H₄ClNS
• 分子量: 133.59900
• 闪点: 89.5ºC
• 精确质量: 132.97500
• PSA: 49.09000
• LogP: 1.95318
• 折射率: 1.537

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XK8561000 CHEMICAL NAME : Thiocyanic acid, 3-chloroallyl ester CAS REGISTRY NUMBER : 76855-01-1 BEILSTEIN REFERENCE NO. : 1748629 LAST UPDATED : 199706 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C4-H4-Cl-N-S MOLECULAR WEIGHT : 133.60 WISWESSER LINE NOTATION : NCS2U1G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 13 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09630

合成路线

542-75-6 333-20-0 ~47% 76855-01-1

文献：Schulze, K.; Richter, F.; Weisheit, R.; Krause, R.; Muehlstaedt, M.; Muehlstaedt, M. Journal fuer Praktische Chemie (Leipzig), 1980 , vol. 322, # 4 p. 629 - 637

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