2,4-dichloro-1-phenylbenzene

• ChemBase ID: 156239
• Molecular Formular: C12H8Cl2
• Molecular Mass: 223.09792
• Monoisotopic Mass: 222.00030562
• SMILES: c1ccc(cc1)c1ccc(cc1Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1ccccc1
• InChI: InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
• InChIKey: WEJZHZJJXPXXMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1-phenylbenzene
• IUPAC Traditional name: 2,4-dichlorobiphenyl
• Synonyms: 2,4-PCB; 2,4-Dichlorobiphenyl; PCB No 7; 2,4-二氯联苯; PCB 7

Database IDs

• CAS Number: 33284-50-3
• MDL Number: MFCD00055255
• Beilstein Number: 2046424
• PubChem SID: 162250377
• PubChem CID: 36399
• Ballschmiter Number: 7

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: 25.026346 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)
• 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

Product Information

• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C12H8Cl2