4-[Bis(2-Chloroethyl)Amino]Benzoic Acid
[CAS# 1141-37-3]

Identification

• Name: 4-[Bis(2-Chloroethyl)Amino]Benzoic Acid
• Synonyms: 4-(Bis(2-Chloroethyl)Amino)Benzoic Acid; 4-14-00-01170 (Beilstein Handbook Reference); 4-N-Bis(2-Chloroethyl)Aminobenzoic Acid
• Molecular Formula: C₁₁H₁₃Cl₂NO₂
• Molecular Weight: 262.14
• CAS Registry Number: 1141-37-3
• SMILES: C1=C(C=CC(=C1)N(CCCl)CCCl)C(O)=O
• InChI: 1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
• InChIKey: PCLQMXVMRDPVKX-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 426.565°C at 760 mmHg (Cal.)
• Flash point: 211.779°C (Cal.)