2-(2-chlorophenyl)oxirane

• ChemBase ID: 164540
• Molecular Formular: C8H7ClO
• Molecular Mass: 154.59358
• Monoisotopic Mass: 154.01854252
• SMILES: c1cccc(c1Cl)C1CO1
• Canonical SMILES: Clc1ccccc1C1CO1
• InChI: InChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2
• InChIKey: RTPJBMWUVSTBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)oxirane
• IUPAC Traditional name: 2-(2-chlorophenyl)oxirane
• Synonyms: 1-Chloro-2-(epoxyethyl)-benzene; (2-Chlorophenyl)-oxirane; (2-Chlorophenyl)oxirane; 2-(2-Chlorophenyl)oxirane; 2-Chlorostyrene Oxide; o-Chlorophenyloxirane; o-Chlorostyrene Oxide; 2-(2-Chlorophenyl)oxirane; 2-Chlorostyreneoxide

Database IDs

• CAS Number: 62717-50-5; 62717-50-4
• MDL Number: MFCD09738053
• PubChem SID: 162258675
• PubChem CID: 560709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3413093
• LogD (pH = 7.4): 2.3413093
• Log P: 2.3413093
• Molar Refractivity: 40.1311 cm^3
• Polarizability: 15.840481 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colorless Crystal
• Hydrophobicity(logP): 1.999

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95%