4-[(1,1-Dioxido-4-Thiomorpholinyl)Methyl]Benzoic Acid
[CAS# 465514-21-0]

Identification

• Name: 4-[(1,1-Dioxido-4-Thiomorpholinyl)Methyl]Benzoic Acid
• Synonyms: 4-(4-Carboxybenzyl)thiomorpholine 1,1-dioxide; 4-(4-Carboxybenzyl)thiomorpholine-1,1-dioxide; 4-[(1,1-dioxo-1,4-thiazaperhydroin-4-yl)methyl]benzoic acid
• Molecular Formula: C₁₂H₁₅NO₄S
• Molecular Weight: 269.32
• CAS Registry Number: 465514-21-0
• SMILES: O=S2(=O)CCN(Cc1ccc(C(=O)O)cc1)CC2
• InChI: 1S/C12H15NO4S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-18(16,17)8-6-13/h1-4H,5-9H2,(H,14,15)
• InChIKey: HMVAVIKQXATKEL-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Melting point: 220-222°C (Expl.)
• Boiling point: 512.445°C at 760 mmHg (Cal.)
• Flash point: 263.718°C (Cal.)
• Refractive index: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT