[R-(R*,R*)]-2-(2,2-Dichloroacetamido)-3-Hydroxy-3-(4-Nitrophenyl)Ethyl Benzoate
[CAS# 492-79-5]

Identification

• Name: [R-(R*,R*)]-2-(2,2-Dichloroacetamido)-3-Hydroxy-3-(4-Nitrophenyl)Ethyl Benzoate
• Synonyms: (3R)-2-[(2,2-Dichloro-1-Oxoethyl)Amino]-3-Hydroxy-3-(4-Nitrophenyl)-1-Cyclohexa-1,5-Dienecarboxylic Acid Ethyl Ester; (3R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-3-(4-Nitrophenyl)Cyclohexa-1,5-Diene-1-Carboxylic Acid Ethyl Ester; Ethyl (3R)-2-(2,2-Dichloroethanoylamino)-3-Hydroxy-3-(4-Nitrophenyl)Cyclohexa-1,5-Diene-1-Carboxylate
• Molecular Formula: C₁₇H₁₆Cl₂N₂O₆
• Molecular Weight: 415.23
• CAS Registry Number: 492-79-5
• EINECS: 207-760-4
• SMILES: [C@]1(O)(C(=C(C=CC1)C(OCC)=O)NC(=O)C(Cl)Cl)C2=CC=C([N+]([O-])=O)C=C2
• InChI: 1S/C17H16Cl2N2O6/c1-2-27-16(23)12-4-3-9-17(24,13(12)20-15(22)14(18)19)10-5-7-11(8-6-10)21(25)26/h3-8,14,24H,2,9H2,1H3,(H,20,22)/t17-/m1/s1
• InChIKey: YJEYRNJDAZUHOB-QGZVFWFLSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 612.938°C at 760 mmHg (Cal.)
• Flash point: 324.493°C (Cal.)