3-[Bis(2-Chloroethyl)Amino]-1-(4-Phenylphenyl)Propan-1-One
[CAS# 142058-12-6]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-1-(4-Phenylphenyl)Propan-1-One
• Synonyms: Toxin 5; 1-(1,1'-Biphenyl)-4-Yl-3-(Bis(2-Chloroethyl)Amino)-1-Propanone; 1-Propanone, 1-(1,1'-Biphenyl)-4-Yl-3-(Bis(2-Chloroethyl)Amino)-
• Molecular Formula: C₁₉H₂₁Cl₂NO
• Molecular Weight: 350.29
• CAS Registry Number: 142058-12-6
• SMILES: C1=C(C=CC(=C1)C(CCN(CCCl)CCCl)=O)C2=CC=CC=C2
• InChI: 1S/C19H21Cl2NO/c20-11-14-22(15-12-21)13-10-19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2
• InChIKey: IXHADCPJRQNDGG-UHFFFAOYSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 439.472°C at 760 mmHg (Cal.)
• Flash point: 219.585°C (Cal.)