[4-[Bis(2-Chloroethyl)Amino]Phenyl] 3-Nitrobenzoate
[CAS# 22953-58-8]

Identification

• Name: [4-[Bis(2-Chloroethyl)Amino]Phenyl] 3-Nitrobenzoate
• Synonyms: 3-Nitrobenzoic Acid [4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; P-(Bis(2-Chloroethyl)Amino)Phenyl M-Nitrobenzoate; Brn 2780448
• Molecular Formula: C₁₇H₁₆Cl₂N₂O₄
• Molecular Weight: 383.23
• CAS Registry Number: 22953-58-8
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)C2=CC(=CC=C2)[N+]([O-])=O
• InChI: 1S/C17H16Cl2N2O4/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: OTCCTHBQSGSBNA-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 542.629°C at 760 mmHg (Cal.)
• Flash point: 281.972°C (Cal.)