3-[Bis(2-Chloroethyl)Amino]Benzoic Acid Isopropyl Ester
[CAS# 24813-10-3]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]Benzoic Acid Isopropyl Ester
• Synonyms: Isopropyl 3-[Bis(2-Chloroethyl)Amino]Benzoate; 3-[Bis(2-Chloroethyl)Amino]Benzoic Acid Isopropyl Ester; Benzoic Acid, M-(Bis(2-Chloroethyl)Amino)-, Isopropyl Ester
• Molecular Formula: C₁₄H₁₉Cl₂NO₂
• Molecular Weight: 304.22
• CAS Registry Number: 24813-10-3
• SMILES: C1=C(N(CCCl)CCCl)C=CC=C1C(OC(C)C)=O
• InChI: 1S/C14H19Cl2NO2/c1-11(2)19-14(18)12-4-3-5-13(10-12)17(8-6-15)9-7-16/h3-5,10-11H,6-9H2,1-2H3
• InChIKey: XOIHXTHJKDKFSV-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 414.053°C at 760 mmHg (Cal.)
• Flash point: 204.212°C (Cal.)