5416-94-4

• 常用中文名：Thiocyanic acid, heptyl ester
• 常用英文名：Thiocyanic acid, heptyl ester
• CAS号：5416-94-4
• 分子式：C₈H₁₅NS
• 分子量：157.27600
• 发布时间：2017-04-22 06:10:26
• 更新时间：2025-08-27 18:57:07

名称

• 英文名: heptyl thiocyanate
• 英文别名: Heptylthiocyanat; heptylsulfanyl cyanate; n-Heptylrhodanid; n-Heptylthiocyanat; Thiocyansaeure-heptylester; Thiocyanic acid,heptyl ester; prim.-n-Heptyl-rhodanid

物化性质

• 密度: 0.936g/cm3
• 沸点: 234.8ºC at 760 mmHg
• 分子式: C₈H₁₅NS
• 分子量: 157.27600
• 闪点: 95.8ºC
• 精确质量: 157.09300
• PSA: 49.09000
• LogP: 3.17108
• 折射率: 1.471

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XL1227000 CHEMICAL NAME : Thiocyanic acid, heptyl ester CAS REGISTRY NUMBER : 5416-94-4 BEILSTEIN REFERENCE NO. : 1749810 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C8-H15-N-S MOLECULAR WEIGHT : 157.30 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 72 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972

安全

• 海关编码: 2930909090

合成路线

629-04-9 333-20-0 ~% 5416-94-4

文献：Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

111-70-6 ~% 5416-94-4

文献：Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

556-64-9 4282-40-0 ~89% 5416-94-4

文献：Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

629-06-1 333-20-0 ~% 5416-94-4

文献：Caronna,T. et al. Tetrahedron, 1977 , vol. 33, p. 793 - 796

142-82-5 333-20-0 ~% 5416-94-4

文献：Mueller,E.; Schmidt,E.W. Chemische Berichte, 1963 , vol. 96, p. 3050 - 3061

上下游产品

上游产品  7
629-04-9 333-20-0 111-70-6 556-64-9
4282-40-0 629-06-1 142-82-5
下游产品  3
10496-16-9 1639-09-4 24768-44-3

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%