4-(1,1-Dioxido-4-Thiomorpholinyl)Benzoic Acid
[CAS# 451485-62-4]

Identification

• Name: 4-(1,1-Dioxido-4-Thiomorpholinyl)Benzoic Acid
• Synonyms: 4-(1,1-dioxo-1,4-thiazaperhydroin-4-yl)benzoic acid; 4-(1,1-dioxo-1λ⁶,4-thiazinan-4-yl)benzenecarboxylic acid; 4-(1,1-Dioxo-1λ⁶,4-thiazinan-4-yl)-benzenecarboxylic acid
• Molecular Formula: C₁₁H₁₃NO₄S
• Molecular Weight: 255.29
• CAS Registry Number: 451485-62-4
• SMILES: C1CS(=O)(=O)CCN1C2=CC=C(C=C2)C(=O)O
• InChI: 1S/C11H13NO4S/c13-11(14)9-1-3-10(4-2-9)12-5-7-17(15,16)8-6-12/h1-4H,5-8H2,(H,13,14)
• InChIKey: CEQTXJDEBJMUCN-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 308-311°C (Expl.)
• Boiling point: 566.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 296.5±28.7°C (Cal.)
• Refractive index: 1.604 (Cal.)

Safety Data

• Safety Description: IRRITANT