Sodium 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoate
[CAS# 1030-06-4]

Identification

• Name: Sodium 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoate
• Synonyms: Sodium 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyrate; Butyric Acid, 4-(P-(Bis(2-Chloroethyl)Amino)Phenyl)-, Sodium Salt; Benzenebutanoic Acid, 4-(Bis(2-Chloroethyl)Amino)-, Sodium Salt (9Ci)
• Molecular Formula: C₁₄H₁₈Cl₂NNaO₂
• Molecular Weight: 326.20
• CAS Registry Number: 1030-06-4
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CCCC([O-])=O.[Na+]
• InChI: 1S/C14H19Cl2NO2.Na/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;/h4-7H,1-3,8-11H2,(H,18,19);/q;+1/p-1
• InChIKey: MXPCUEIEUDJYAC-UHFFFAOYSA-M

Properties

• Boiling point: 460.1°C at 760 mmHg (Cal.)
• Flash point: 232.1°C (Cal.)