3-(Bis(2-Chloroethyl)Amino)-3-(3-Chlorophenyl)-2-Propen-1-One
[CAS# 27972-17-4]

Identification

• Name: 3-(Bis(2-Chloroethyl)Amino)-3-(3-Chlorophenyl)-2-Propen-1-One
• Synonyms: (Z)-3-[Bis(2-Chloroethyl)Amino]-3-(3-Chlorophenyl)Acrolein; 2-Propen-1-One, 3-(Bis(2-Chloroethyl)Amino)-3-(3-Chlorophenyl)-; 3-(Bis(2-Chloroethyl)Amino)-3-(3-Chlorophenyl)-2-Propen-1-One
• Molecular Formula: C₁₃H₁₄Cl₃NO
• Molecular Weight: 306.62
• CAS Registry Number: 27972-17-4
• SMILES: C1=C(Cl)C=CC=C1\C(N(CCCl)CCCl)=C\C=O
• InChI: 1S/C13H14Cl3NO/c14-5-7-17(8-6-15)13(4-9-18)11-2-1-3-12(16)10-11/h1-4,9-10H,5-8H2/b13-4-
• InChIKey: CWGLIHODOAAGRO-PQMHYQBVSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 528.197°C at 760 mmHg (Cal.)
• Flash point: 273.244°C (Cal.)