trans-2-Chloro-5-[(3,5-Dimethylpiperidin-1-Yl)Sulphonyl]Benzoic Acid
[CAS# 37087-96-0]

Identification

• Name: trans-2-Chloro-5-[(3,5-Dimethylpiperidin-1-Yl)Sulphonyl]Benzoic Acid
• Synonyms: 2-Chloro-5-[[(3R,5S)-3,5-Dimethyl-1-Piperidyl]Sulfonyl]Benzoate; 2-Chloro-5-[[(3R,5S)-3,5-Dimethyl-1-Piperidinyl]Sulfonyl]Benzoate; 2-Chloro-5-[(3R,5S)-3,5-Dimethylpiperidin-1-Yl]Sulfonyl-Benzoate
• Molecular Formula: C₁₄H₁₇ClNO₄S
• Molecular Weight: 330.81
• CAS Registry Number: 37087-96-0
• EINECS: 253-345-6
• SMILES: [C@@H]2(CN([S](=O)(=O)C1=CC(=C(Cl)C=C1)C([O-])=O)C[C@H](C2)C)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)/p-1/t9-,10+
• InChIKey: IFXSWTIWFGIXQO-AOOOYVTPSA-M

Properties

• Boiling point: 488.193°C at 760 mmHg (Cal.)
• Flash point: 249.051°C (Cal.)