3-[Bis(2-Chloroethyl)Amino]Benzoic Acid
[CAS# 3085-98-1]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]Benzoic Acid
• Synonyms: M-(Bis(2-Chloroethyl)Amino)Benzoic Acid; Benzoic Acid, 3-[Bis(2-Chloroethyl)Amino]-; Nsc240365
• Molecular Formula: C₁₁H₁₃Cl₂NO₂
• Molecular Weight: 262.14
• CAS Registry Number: 3085-98-1
• SMILES: C1=CC=C(C=C1C(O)=O)N(CCCl)CCCl
• InChI: 1S/C11H13Cl2NO2/c12-4-6-14(7-5-13)10-3-1-2-9(8-10)11(15)16/h1-3,8H,4-7H2,(H,15,16)
• InChIKey: WVXYNWIVVDXMJC-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 433.329°C at 760 mmHg (Cal.)
• Flash point: 215.87°C (Cal.)