4-[Bis(2-Bromoethyl)Amino]Phenyl 4-Nitrobenzoate
[CAS# 22953-44-2]

Identification

• Name: 4-[Bis(2-Bromoethyl)Amino]Phenyl 4-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic Acid [4-(Bis(2-Bromoethyl)Amino)Phenyl] Ester; Phenol, P-(Bis(2-Bromoethyl)Amino)-, P-Nitrobenzoate; P-(Bis(2-Bromoethyl)Amino)Phenol P-Nitrobenzoate
• Molecular Formula: C₁₇H₁₆Br₂N₂O₄
• Molecular Weight: 472.13
• CAS Registry Number: 22953-44-2
• SMILES: C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)C2=CC=C(C=C2)[N+]([O-])=O
• InChI: 1S/C17H16Br2N2O4/c18-9-11-20(12-10-19)14-5-7-16(8-6-14)25-17(22)13-1-3-15(4-2-13)21(23)24/h1-8H,9-12H2
• InChIKey: SDAIMQSEPQFQJY-UHFFFAOYSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Boiling point: 577.502°C at 760 mmHg (Cal.)
• Flash point: 303.062°C (Cal.)