5-(Ethylsulphonyl)-4-Nitro-O-Anisic Acid
[CAS# 79893-22-4]

Identification

• Name: 5-(Ethylsulphonyl)-4-Nitro-O-Anisic Acid
• Synonyms: 5-Ethylsulfonyl-2-Methoxy-4-Nitro-Benzoic Acid; 5-(Ethylsulphonyl)-4-Nitro-O-Anisic Acid
• Molecular Formula: C₁₀H₁₁NO₇S
• Molecular Weight: 289.26
• CAS Registry Number: 79893-22-4
• EINECS: 279-336-7
• SMILES: C1=C([S](=O)(=O)CC)C(=CC(=C1C(=O)O)OC)[N+]([O-])=O
• InChI: 1S/C10H11NO7S/c1-3-19(16,17)9-4-6(10(12)13)8(18-2)5-7(9)11(14)15/h4-5H,3H2,1-2H3,(H,12,13)
• InChIKey: NCMKWHOWUUZOFU-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 564.686°C at 760 mmHg (Cal.)
• Flash point: 295.312°C (Cal.)