4-(2-Chloroethyl-(2-Methylsulfonyloxyethyl)Amino)Benzoic Acid
[CAS# 122665-70-7]

Identification

• Name: 4-(2-Chloroethyl-(2-Methylsulfonyloxyethyl)Amino)Benzoic Acid
• Synonyms: 4-((2-Chloroethyl) (2-Mesyloxyethyl)Amino)Benzoic Acid; 4-((2-Chloroethyl)(2-((Methylsulfonyl)Oxy)Ethyl)Amino)Benzoic Acid; 4-Cema-Benzoic Acid
• Molecular Formula: C₁₂H₁₆ClNO₅S
• Molecular Weight: 321.78
• CAS Registry Number: 122665-70-7
• SMILES: C1=C(N(CCO[S](=O)(=O)C)CCCl)C=CC(=C1)C(=O)O
• InChI: 1S/C12H16ClNO5S/c1-20(17,18)19-9-8-14(7-6-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
• InChIKey: ANWIGCCRMNYDJN-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 558.098°C at 760 mmHg (Cal.)
• Flash point: 291.328°C (Cal.)