1-chloro-2-(4-chlorophenyl)benzene

• ChemBase ID: 156325
• Molecular Formular: C12H8Cl2
• Molecular Mass: 223.09792
• Monoisotopic Mass: 222.00030562
• SMILES: c1ccc(c(c1)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1ccccc1Cl
• InChI: InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H
• InChIKey: UFNIBRDIUNVOMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(4-chlorophenyl)benzene
• IUPAC Traditional name: 1-chloro-2-(4-chlorophenyl)benzene
• Synonyms: 2,4′-Dichlorobiphenyl; 2,4′-二氯联苯

Database IDs

• CAS Number: 34883-43-7
• MDL Number: MFCD00152399
• Beilstein Number: 1946417
• PubChem SID: 24892208; 162250463
• PubChem CID: 36982

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8285604
• LogD (pH = 7.4): 4.8285604
• Log P: 4.8285604
• Molar Refractivity: 60.8038 cm^3
• Polarizability: 25.021688 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3432
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 2
• Risk Statements: 33-50/53
• Safety Statements: 35-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H373-H410
• GHS Precautionary statements: P273-P501
• RID/ADR: UN 3432 9/PG 2
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: rat ... Ar(24208)

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C12H8Cl2

DETAILS

Sigma Aldrich - BCR289

Legal Information
BCR is a registered trademark of European Commission