[4-(Bis(2-Bromoethyl)Amino)Phenyl] 2-Propan-2-Ylbenzoate
[CAS# 22954-14-9]

Identification

• Name: [4-(Bis(2-Bromoethyl)Amino)Phenyl] 2-Propan-2-Ylbenzoate
• Synonyms: [4-(Bis(2-Bromoethyl)Amino)Phenyl] 2-Isopropylbenzoate; 2-Isopropylbenzoic Acid [4-(Bis(2-Bromoethyl)Amino)Phenyl] Ester; Benzoic Acid, O-Isopropyl-, P-(Bis(2-Bromoethyl)Amino)Phenyl Ester
• Molecular Formula: C₂₀H₂₃Br₂NO₂
• Molecular Weight: 469.22
• CAS Registry Number: 22954-14-9
• SMILES: C1=CC=CC(=C1C(C)C)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr
• InChI: 1S/C20H23Br2NO2/c1-15(2)18-5-3-4-6-19(18)20(24)25-17-9-7-16(8-10-17)23(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3
• InChIKey: PRMOCPYCVSHNMG-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 532.151°C at 760 mmHg (Cal.)
• Flash point: 275.635°C (Cal.)