2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl N-(2-Chloroethyl)-N-Nitrosocarbamate
[CAS# 104691-77-2]

Identification

• Name: 2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl N-(2-Chloroethyl)-N-Nitrosocarbamate
• Synonyms: 2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl N-(2-Chloroethyl)-N-Nitroso-Carbamate; N-(2-Chloroethyl)-N-Nitrosocarbamic Acid 2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl Ester; N-(2-Chloroethyl)-N-Nitroso-Carbamic Acid 2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl Ester
• Molecular Formula: C₂₇H₂₇ClN₂O₄
• Molecular Weight: 478.97
• CAS Registry Number: 104691-77-2
• SMILES: C1=CC(=CC=C1)C(/CC)=C(/C2=CC=CC=C2)C3=CC=C(C=C3)OCCOC(N(N=O)CCCl)=O
• InChI: 1S/C27H27ClN2O4/c1-2-25(21-9-5-3-6-10-21)26(22-11-7-4-8-12-22)23-13-15-24(16-14-23)33-19-20-34-27(31)30(29-32)18-17-28/h3-16H,2,17-20H2,1H3/b26-25-
• InChIKey: MVRABSBYMCPHBM-QPLCGJKRSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 581.397°C at 760 mmHg (Cal.)
• Flash point: 305.418°C (Cal.)