4-[Bis(2-Bromoethyl)Amino]Phenyl 3-Nitrobenzoate
[CAS# 22953-43-1]

Identification

• Name: 4-[Bis(2-Bromoethyl)Amino]Phenyl 3-Nitrobenzoate
• Synonyms: 3-Nitrobenzoic Acid [4-(Bis(2-Bromoethyl)Amino)Phenyl] Ester; P-(Bis(2-Bromoethyl)Amino)Phenyl M-Nitrobenzoate; Brn 3072209
• Molecular Formula: C₁₇H₁₆Br₂N₂O₄
• Molecular Weight: 472.13
• CAS Registry Number: 22953-43-1
• SMILES: C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)C2=CC(=CC=C2)[N+]([O-])=O
• InChI: 1S/C17H16Br2N2O4/c18-8-10-20(11-9-19)14-4-6-16(7-5-14)25-17(22)13-2-1-3-15(12-13)21(23)24/h1-7,12H,8-11H2
• InChIKey: RDBVETSHLDWOJK-UHFFFAOYSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Boiling point: 563.883°C at 760 mmHg (Cal.)
• Flash point: 294.826°C (Cal.)