Tibric Acid
[CAS# 37087-94-8]

Identification

• Name: Tibric Acid
• Synonyms: 2-Chloro-5-[[(3S,5R)-3,5-Dimethyl-1-Piperidyl]Sulfonyl]Benzoic Acid; 2-Chloro-5-[[(3S,5R)-3,5-Dimethyl-1-Piperidinyl]Sulfonyl]Benzoic Acid; 2-Chloro-5-[(3S,5R)-3,5-Dimethylpiperidin-1-Yl]Sulfonyl-Benzoic Acid
• Molecular Formula: C₁₄H₁₈ClNO₄S
• Molecular Weight: 331.81
• CAS Registry Number: 37087-94-8
• EINECS: 253-344-0
• SMILES: [C@@H]2(CN([S](C1=CC(=C(Cl)C=C1)C(O)=O)(=O)=O)C[C@@H](C)C2)C
• InChI: 1S/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10+
• InChIKey: IFXSWTIWFGIXQO-AOOOYVTPSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 488.193°C at 760 mmHg (Cal.)
• Flash point: 249.051°C (Cal.)