1,2-dichloro-3-(3-chlorophenyl)benzene

• ChemBase ID: 156145
• Molecular Formular: C12H7Cl3
• Molecular Mass: 257.54298
• Monoisotopic Mass: 255.96133326
• SMILES: c1cc(cc(c1)Cl)c1cccc(c1Cl)Cl
• Canonical SMILES: Clc1cccc(c1)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H
• InChIKey: SXHLTVKPNQVZGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3-(3-chlorophenyl)benzene
• IUPAC Traditional name: 2,3,3'-trichlorobiphenyl
• Synonyms: 2,3,3′-Trichlorobiphenyl; 2,3,3′-三氯联苯

Database IDs

• CAS Number: 38444-84-7
• MDL Number: MFCD00152893
• Beilstein Number: 8141481
• PubChem SID: 162250283; 24892209
• PubChem CID: 38034

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4326053
• LogD (pH = 7.4): 5.4326053
• Log P: 5.4326053
• Molar Refractivity: 65.6086 cm^3
• Polarizability: 26.897707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C12H7Cl3

DETAILS

Sigma Aldrich - BCR290

Legal Information
BCR is a registered trademark of European Commission