Ethyl cis-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]-Methylthio]Phenyl]-Carbamate Hydrochloride
[CAS# 84697-22-3]

Identification

• Name: Ethyl cis-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]-Methylthio]Phenyl]-Carbamate Hydrochloride
• Synonyms: N-[4-[[(2R,4R)-2-(2,4-Dichlorophenyl)-2-(1-Imidazolylmethyl)-1,3-Dioxolan-4-Yl]Methylthio]Phenyl]Carbamic Acid Ethyl Ester; N-[4-[[(2R,4R)-2-(2,4-Dichlorophenyl)-2-(Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methylthio]Phenyl]Carbamic Acid Ethyl Ester; Carbamic Acid, (4-((((2R,4R)-2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl)Methyl)Thio)Phenyl)-, Ethyl Ester, Rel-
• Molecular Formula: C₂₃H₂₃Cl₂N₃O₄S
• Molecular Weight: 508.42
• CAS Registry Number: 84697-22-3
• SMILES: [C@]3(C1=CC=C(C=C1Cl)Cl)(O[C@@H](CSC2=CC=C(NC(OCC)=O)C=C2)CO3)C[N]4C=CN=C4
• InChI: 1S/C23H23Cl2N3O4S/c1-2-30-22(29)27-17-4-6-19(7-5-17)33-13-18-12-31-23(32-18,14-28-10-9-26-15-28)20-8-3-16(24)11-21(20)25/h3-11,15,18H,2,12-14H2,1H3,(H,27,29)/t18-,23+/m1/s1
• InChIKey: OGPIBXIQNMQSPY-JPYJTQIMSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 646.74°C at 760 mmHg (Cal.)
• Flash point: 344.936°C (Cal.)