3-[Bis(2-Chloroethyl)Amino]-2,4-Dimethylbenzoic Acid
[CAS# 24830-45-3]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-2,4-Dimethylbenzoic Acid
• Synonyms: 3-[Bis(2-Chloroethyl)Amino]-2,4-Dimethyl-Benzoic Acid; Benzoic Acid, 3-(Bis(2-Chloroethyl)Amino)-2,4-Dimethyl-; Brn 2746445
• Molecular Formula: C₁₃H₁₇Cl₂NO₂
• Molecular Weight: 290.19
• CAS Registry Number: 24830-45-3
• SMILES: C1=CC(=C(C)C(=C1C)N(CCCl)CCCl)C(O)=O
• InChI: 1S/C13H17Cl2NO2/c1-9-3-4-11(13(17)18)10(2)12(9)16(7-5-14)8-6-15/h3-4H,5-8H2,1-2H3,(H,17,18)
• InChIKey: HRDXLCGXZZRIQG-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 438.584°C at 760 mmHg (Cal.)
• Flash point: 219.048°C (Cal.)