5-Chloro-gamma-Oxo-2-Thiophenebutanoicacid
[CAS# 70685-06-2]

Identification

• Name: 5-Chloro-gamma-Oxo-2-Thiophenebutanoicacid
• Synonyms: 4-(5-Chloro-2-Thienyl)-4-Oxo-Butanoate; 4-(5-Chloro-2-Thienyl)-4-Oxobutanoate; 4-(5-Chloro-2-Thienyl)-4-Keto-Butyrate
• Molecular Formula: C₈H₆ClO₃S
• Molecular Weight: 217.65
• CAS Registry Number: 70685-06-2
• SMILES: C1=C(SC(=C1)Cl)C(=O)CCC([O-])=O
• InChI: 1S/C8H7ClO3S/c9-7-3-2-6(13-7)5(10)1-4-8(11)12/h2-3H,1,4H2,(H,11,12)/p-1
• InChIKey: QVRXRXKGJQLWMJ-UHFFFAOYSA-M

Properties

• Boiling point: 435.383°C at 760 mmHg (Cal.)
• Flash point: 217.112°C (Cal.)