Ethyl 2-[(Chloroacetyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylate
[CAS# 307512-27-2]

Identification

• Name: Ethyl 2-[(Chloroacetyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylate
• Synonyms: 1-Benzothiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-, ethyl ester; 5-18-12-00222 (Beilstein Handbook Reference); Benzo(b)thiophene-3-carboxylic acid, 2-((chloroacetyl)amino)-4,5,6,7-tetrahydro-, ethyl ester
• Molecular Formula: C₁₃H₁₆ClNO₃S
• Molecular Weight: 301.79
• CAS Registry Number: 307512-27-2
• SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCl
• InChI: 1S/C13H16ClNO3S/c1-2-18-13(17)11-8-5-3-4-6-9(8)19-12(11)15-10(16)7-14/h2-7H2,1H3,(H,15,16)
• InChIKey: SYGWXPYGPAXVLL-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 115-117°C (Expl.)
• Boiling point: 519.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 268.0±30.1°C (Cal.)
• Refractive index: 1.601 (Cal.)

Safety Data

• Safety Description: IRRITANT