85716-87-6

• 常用中文名：2-异硫氰基-4,5,6,7-四氢-1-苯并噻吩-3-羧酸乙酯
• 常用英文名：ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE- 3-CARBOXYLATE
• CAS号：85716-87-6
• 分子式：C₁₂H₁₃NO₂S₂
• 分子量：267.36700
• 发布时间：2018-12-31 13:51:28
• 更新时间：2026-08-02 20:21:49

名称

• 中文名: 2-异硫氰基-4,5,6,7-四氢-1-苯并噻吩-3-羧酸乙酯
• 英文名: ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• 中文别名: 2-硫代异氰酸邻-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯; 2-硫代异氰酸邻-4,5,6,7-四氢苯并噻吩-3-甲酸乙酯; 2-硫代异氰酸酯邻-4,5,6,7-四氢苯并噻吩-3-羧酸乙酯
• 英文别名: ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-cboxylate; 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-cboxylic acid ethyl ester; 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CBOXYLIC ACID ETHYL ESTER; ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CBOXYLATE; T-CHEM-BB B019362; ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-cboxylate; Benzo[b]thiophene-3-cboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester; ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate; 3-ethoxycarbonyl-2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene; Ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-c; ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; ZINC00161819; 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester

物化性质

• 密度: 1.33g/cm3
• 沸点: 445ºC at 760mmHg
• 熔点: 45ºC
• 分子式: C₁₂H₁₃NO₂S₂
• 分子量: 267.36700
• 闪点: 222.9ºC
• 精确质量: 267.03900
• PSA: 98.99000
• LogP: 3.53790
• 折射率: 1.652

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2934999090

合成路线

4506-71-2 463-71-8 ~80% 85716-87-6

文献：Granata, Giuseppe; Barbagallo, Salvatore; Perdicaro, Antonio; Marrazzo, Agostino; Santagati, Andrea; Lombardo, Laura; Cardile, Venera Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 4 p. 1099 - 1104

4506-71-2 ~% 85716-87-6

文献：Synthetic Communications, , vol. 43, # 24 p. 3342 - 3351

75-15-0 90543-03-6 ~% 85716-87-6

文献：Synthetic Communications, , vol. 40, # 10 p. 1453 - 1460

上下游产品

上游产品  4
4506-71-2 463-71-8 75-15-0 90543-03-6
下游产品  3
105544-62-5 88753-91-7 42076-12-0

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%