Phenyl 2-(Bis(2-Chloroethyl)Amino)Ethanesulfonate
[CAS# 5908-54-3]

Identification

• Name: Phenyl 2-(Bis(2-Chloroethyl)Amino)Ethanesulfonate
• Synonyms: 2-[Bis(2-Chloroethyl)Amino]Ethanesulfonic Acid Phenyl Ester; Ethanesulfonic Acid, 2-(Bis(2-Chloroethyl)Amino)-, Phenyl Ester; Phenyl 2-(Bis(2-Chloroethyl)Amino)Ethanesulfonate
• Molecular Formula: C₁₂H₁₇Cl₂NO₃S
• Molecular Weight: 326.24
• CAS Registry Number: 5908-54-3
• SMILES: C1=C(O[S](=O)(=O)CCN(CCCl)CCCl)C=CC=C1
• InChI: 1S/C12H17Cl2NO3S/c13-6-8-15(9-7-14)10-11-19(16,17)18-12-4-2-1-3-5-12/h1-5H,6-11H2
• InChIKey: WYGRTMGCDPQGQC-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 391.452°C at 760 mmHg (Cal.)
• Flash point: 190.543°C (Cal.)