6-[Bis(2-Chloroethyl)Amino]-m-Toluic Acid
[CAS# 5977-34-4]

Identification

• Name: 6-[Bis(2-Chloroethyl)Amino]-m-Toluic Acid
• Synonyms: 2-[Bis(2-Chloroethyl)Amino]-5-Methyl-Benzoic Acid; 6-Bis(2-Chloroethyl)Amino-3-Methylbenzoic Acid; 6-Bis(2-Chloroethyl)Amino-M-Toluic Acid
• Molecular Formula: C₁₂H₁₅Cl₂NO₂
• Molecular Weight: 276.16
• CAS Registry Number: 5977-34-4
• SMILES: C1=C(C(=CC(=C1)C)C(=O)O)N(CCCl)CCCl
• InChI: 1S/C12H15Cl2NO2/c1-9-2-3-11(10(8-9)12(16)17)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)
• InChIKey: VNYPKPWUBJWTDF-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 429.189°C at 760 mmHg (Cal.)
• Flash point: 213.366°C (Cal.)