4-[Bis(2-Chloroethyl)Amino]Phenol Benzoate
[CAS# 1233-89-2]

Identification

• Name: 4-[Bis(2-Chloroethyl)Amino]Phenol Benzoate
• Synonyms: Benzoic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; Phenol, P-(Bis(2-Chloroethyl)Amino)-, Benzoate; P-(Bis(2-Chloroethyl)Amino)Phenol Benzoate
• Molecular Formula: C₁₇H₁₇Cl₂NO₂
• Molecular Weight: 338.23
• CAS Registry Number: 1233-89-2
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)C2=CC=CC=C2
• InChI: 1S/C17H17Cl2NO2/c18-10-12-20(13-11-19)15-6-8-16(9-7-15)22-17(21)14-4-2-1-3-5-14/h1-9H,10-13H2
• InChIKey: DCKXNKRUGUYEPS-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 477.537°C at 760 mmHg (Cal.)
• Flash point: 242.606°C (Cal.)