1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene

• ChemBase ID: 156379
• Molecular Formular: C12H4Cl6
• Molecular Mass: 360.87816
• Monoisotopic Mass: 357.84441621
• SMILES: c1cc(c(cc1Cl)c1c(c(cc(c1Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl
• InChI: InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
• InChIKey: UHCLFIWDCYOTOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene
• IUPAC Traditional name: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene
• Synonyms: 2,2′,3,5,5′,6-PCB; 2,2′,3,5,5′,6-Hexachlorobiphenyl; PCB No 151; 2,2′,3,5,5′,6-六氯联苯; PCB 151

Database IDs

• CAS Number: 52663-63-5
• EC Number: 215-648-1
• MDL Number: MFCD00152538
• PubChem SID: 24860963; 162250517
• PubChem CID: 40471

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.244739
• LogD (pH = 7.4): 7.244739
• Log P: 7.244739
• Molar Refractivity: 80.023 cm^3
• Polarizability: 32.670483 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3432 9/PG 2

Product Information

• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C12H4Cl6