3-[Bis(2-Chloroethyl)Amino]-4-Ethylbenzoic Acid
[CAS# 5977-03-7]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-4-Ethylbenzoic Acid
• Synonyms: 3-[Bis(2-Chloroethyl)Amino]-4-Ethyl-Benzoic Acid; 3-(Bis(2-Chloroethyl)Amino)-4-Ethylbenzoic Acid; Benzoic Acid, 3-(Bis(2-Chloroethyl)Amino)-4-Ethyl-
• Molecular Formula: C₁₃H₁₇Cl₂NO₂
• Molecular Weight: 290.19
• CAS Registry Number: 5977-03-7
• SMILES: C1=CC(=CC(=C1CC)N(CCCl)CCCl)C(O)=O
• InChI: 1S/C13H17Cl2NO2/c1-2-10-3-4-11(13(17)18)9-12(10)16(7-5-14)8-6-15/h3-4,9H,2,5-8H2,1H3,(H,17,18)
• InChIKey: CVYMFSALFIIKRF-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 446.063°C at 760 mmHg (Cal.)
• Flash point: 223.571°C (Cal.)