4-[Bis(2-Chloroethyl)Amino]Phenyl 3-Bromobenzoate
[CAS# 22953-52-2]

Identification

• Name: 4-[Bis(2-Chloroethyl)Amino]Phenyl 3-Bromobenzoate
• Synonyms: 3-Bromobenzoic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; P-(Bis(2-Chloroethyl)Amino)Phenol M-Bromobenzoate; P-(Bis(2-Chloroethyl)Amino)Phenyl M-Bromobenzoate
• Molecular Formula: C₁₇H₁₆BrCl₂NO₂
• Molecular Weight: 417.13
• CAS Registry Number: 22953-52-2
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)C2=CC(=CC=C2)Br
• InChI: 1S/C17H16BrCl2NO2/c18-14-3-1-2-13(12-14)17(22)23-16-6-4-15(5-7-16)21(10-8-19)11-9-20/h1-7,12H,8-11H2
• InChIKey: SUZZKNCPUCQBBP-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 524.625°C at 760 mmHg (Cal.)
• Flash point: 271.083°C (Cal.)