5-[Bis(2-chloroethyl)amino]-2-methyl-Benzoic acid
[CAS# 5977-36-6]

Identification

• Name: 5-[Bis(2-chloroethyl)amino]-2-methyl-Benzoic acid
• Synonyms: 5-[Bis(2-Chloroethyl)Amino]-2-Methyl-Benzoic Acid; 5-Bis(2-Chloroethyl)Amino-2-Methylbenzoic Acid; 5-Bis(2-Chloroethyl)Amino-O-Toluic Acid
• Molecular Formula: C₁₂H₁₅Cl₂NO₂
• Molecular Weight: 276.16
• CAS Registry Number: 5977-36-6
• SMILES: C1=CC(=CC(=C1C)C(O)=O)N(CCCl)CCCl
• InChI: 1S/C12H15Cl2NO2/c1-9-2-3-10(8-11(9)12(16)17)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)
• InChIKey: CGKKAGUCZCKFJI-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 456.116°C at 760 mmHg (Cal.)
• Flash point: 229.651°C (Cal.)