4-(Azepane-1-Sulfonyl)-Benzoic Acid
[CAS# 17420-68-7]

Identification

• Name: 4-(Azepane-1-Sulfonyl)-Benzoic Acid
• Synonyms: 4-(1-Azepanylsulfonyl)Benzoate; Zinc03866131
• Molecular Formula: C₁₃H₁₆NO₄S
• Molecular Weight: 282.33
• CAS Registry Number: 17420-68-7
• SMILES: C2=C([S](=O)(=O)N1CCCCCC1)C=CC(=C2)C([O-])=O
• InChI: 1S/C13H17NO4S/c15-13(16)11-5-7-12(8-6-11)19(17,18)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2,(H,15,16)/p-1
• InChIKey: HLSLLBRKHGBLQG-UHFFFAOYSA-M

Properties

• Boiling point: 470.133°C at 760 mmHg (Cal.)
• Flash point: 238.128°C (Cal.)