3-[Bis(2-Chloroethyl)Amino]-N-[2-(Bromoacetyl)Phenyl]-4-Methylbenzamide
[CAS# 70020-67-6]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-N-[2-(Bromoacetyl)Phenyl]-4-Methylbenzamide
• Synonyms: 3-[Bis(2-Chloroethyl)Amino]-N-[2-(2-Bromoacetyl)Phenyl]-4-Methyl-Benzamide; 3-[Bis(2-Chloroethyl)Amino]-N-[2-(2-Bromo-1-Oxoethyl)Phenyl]-4-Methylbenzamide; 3-[Bis(2-Chloroethyl)Amino]-N-[2-(2-Bromoethanoyl)Phenyl]-4-Methyl-Benzamide
• Molecular Formula: C₂₀H₂₁BrCl₂N₂O₂
• Molecular Weight: 472.21
• CAS Registry Number: 70020-67-6
• SMILES: C1=C(N(CCCl)CCCl)C(=CC=C1C(NC2=C(C=CC=C2)C(CBr)=O)=O)C
• InChI: 1S/C20H21BrCl2N2O2/c1-14-6-7-15(12-18(14)25(10-8-22)11-9-23)20(27)24-17-5-3-2-4-16(17)19(26)13-21/h2-7,12H,8-11,13H2,1H3,(H,24,27)
• InChIKey: IMTHQAPPDFRUAL-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 530.11°C at 760 mmHg (Cal.)
• Flash point: 274.401°C (Cal.)