5-[Bis(2-Chloroethyl)Amino]-M-Toluic Acid
[CAS# 17191-65-0]

Identification

• Name: 5-[Bis(2-Chloroethyl)Amino]-M-Toluic Acid
• Synonyms: 3-[Bis(2-Chloroethyl)Amino]-5-Methyl-Benzoic Acid; 5-Bis(2-Chloroethyl)Amino-3-Methylbenzoic Acid; 5-Bis(2-Chloroethyl)Amino-M-Toluic Acid
• Molecular Formula: C₁₂H₁₅Cl₂NO₂
• Molecular Weight: 276.16
• CAS Registry Number: 17191-65-0
• SMILES: C1=C(C=C(C=C1C)C(O)=O)N(CCCl)CCCl
• InChI: 1S/C12H15Cl2NO2/c1-9-6-10(12(16)17)8-11(7-9)15(4-2-13)5-3-14/h6-8H,2-5H2,1H3,(H,16,17)
• InChIKey: XUOHIEMVNRNKFP-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 451.017°C at 760 mmHg (Cal.)
• Flash point: 226.567°C (Cal.)