4-[Bis(2-Chloroethyl)Amino]Phenyl 4-Bromobenzoate
[CAS# 22953-53-3]

Identification

• Name: 4-[Bis(2-Chloroethyl)Amino]Phenyl 4-Bromobenzoate
• Synonyms: 4-Bromobenzoic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; Phenol, P-(Bis(2-Chloroethyl)Amino)-, P-Bromobenzoate; P-(Bis(2-Chloroethyl)Amino)Phenol P-Bromobenzoate
• Molecular Formula: C₁₇H₁₆BrCl₂NO₂
• Molecular Weight: 417.13
• CAS Registry Number: 22953-53-3
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)C2=CC=C(C=C2)Br
• InChI: 1S/C17H16BrCl2NO2/c18-14-3-1-13(2-4-14)17(22)23-16-7-5-15(6-8-16)21(11-9-19)12-10-20/h1-8H,9-12H2
• InChIKey: VSZDJZWCVDOADP-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 523.608°C at 760 mmHg (Cal.)
• Flash point: 270.468°C (Cal.)