[4-(Methylsulfonyl)-2-nitrophenyl]acetic acid
[CAS# 929000-10-2]

Identification

• Name: [4-(Methylsulfonyl)-2-nitrophenyl]acetic acid
• Synonyms: 2-(4-(methylsulfonyl)-2-nitrophenyl)acetic acid; 2-(4-Methylsulfonyl-2-nitro-phenyl)acetic acid; 4-(Methylsulphonyl)-2-nitrophenylacetic acid 98%
• Molecular Formula: C₉H₉NO₆S
• Molecular Weight: 259.24
• CAS Registry Number: 929000-10-2
• SMILES: CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])CC(=O)O
• InChI: 1S/C9H9NO6S/c1-17(15,16)7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)
• InChIKey: XTYIZYUGJXPLRU-UHFFFAOYSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 506.636°C at 760 mmHg (Cal.)
• Flash point: 260.204°C (Cal.)
• Refractive index: 1.584 (Cal.)

Safety Data

• Safety Description: IRRITANT