5-Fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylic acid
[CAS# 849035-87-6]

Identification

• Name: 5-Fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylic acid
• Synonyms: 2-Carboxy-5-fluoro-7-(methylsulphonyl)-1H-indole, 2-Carboxy-5-fluoro-1H-indol-7-yl methyl sulphone; 5-Fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylic; 5-Fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylicacid
• Molecular Formula: C₁₀H₈FNO₄S
• Molecular Weight: 257.24
• CAS Registry Number: 849035-87-6
• SMILES: O=S(=O)(c1cc(F)cc2c1nc(c2)C(=O)O)C
• InChI: 1S/C10H8FNO4S/c1-17(15,16)8-4-6(11)2-5-3-7(10(13)14)12-9(5)8/h2-4,12H,1H3,(H,13,14)
• InChIKey: WNCWFIMFLBFIRS-UHFFFAOYSA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Melting point: 270-272°C (Expl.)
• Boiling point: 604.244°C at 760 mmHg (Cal.)
• Flash point: 319.236°C (Cal.)
• Refractive index: 1.644 (Cal.)

Safety Data

• Safety Description: Irritant/Keep Cold/Store under Argon