4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate
[CAS# 100700-27-4]

Identification

• Name: 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate
• Synonyms: Bis(2-Chloroethyl)-(4-Hydroxy-4-Oxo-Butyl)Ammonium; 2,4,6-Trinitrobenzenesulfonate; Bis(2-Chloroethyl)-(4-Hydroxy-4-Oxobutyl)Ammonium; 2,4,6-Trinitrobenzenesulfonate; Bis(2-Chloroethyl)-(4-Hydroxy-4-Keto-Butyl)Ammonium; 2,4,6-Trinitrobenzenesulfonate
• Molecular Formula: C₁₄H₁₈Cl₂N₄O₁₁S
• Molecular Weight: 521.28
• CAS Registry Number: 100700-27-4
• SMILES: C([NH+](CCCl)CCCl)CCC(=O)O.C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1[N+]([O-])=O)[S]([O-])(=O)=O
• InChI: 1S/C8H15Cl2NO2.C6H3N3O9S/c9-3-6-11(7-4-10)5-1-2-8(12)13;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-7H2,(H,12,13);1-2H,(H,16,17,18)
• InChIKey: RTUWHVZDCCZSAZ-UHFFFAOYSA-N

Properties

• Boiling point: 666.9°C at 760 mmHg (Cal.)
• Flash point: 357.1°C (Cal.)