3-[N,N'-Bis(2-chloroethyl)amino]-4-methylbenzoic acid
[CAS# 5977-35-5]

Identification

• Name: 3-[N,N'-Bis(2-chloroethyl)amino]-4-methylbenzoic acid
• Synonyms: Sodium 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoate; 3-(Bis(2-Chloroethyl)Amino)-P-Toluic Acid Sodium Salt; 3-(Di-(2-Chloroethyl))Amino-4-Methylbenzoic Acid Sodium Salt
• Molecular Formula: C₁₂H₁₄Cl₂NNaO₂
• Molecular Weight: 298.14
• CAS Registry Number: 5977-35-5 (52616-25-8)
• SMILES: C1=C(C=CC(=C1N(CCCl)CCCl)C)C([O-])=O.[Na+]
• InChI: 1S/C12H15Cl2NO2.Na/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14;/h2-3,8H,4-7H2,1H3,(H,16,17);/q;+1/p-1
• InChIKey: CRWUUOBIPYBVKP-UHFFFAOYSA-M

Properties

• Boiling point: 440.6°C at 760 mmHg (Cal.)
• Flash point: 220.3°C (Cal.)