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

• ChemBase ID: 157055
• Molecular Formular: C12H4Cl6
• Molecular Mass: 360.87816
• Monoisotopic Mass: 357.84441621
• SMILES: c1cc(c(cc1c1cc(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
• InChIKey: LCXMEXLGMKFLQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
• IUPAC Traditional name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
• Synonyms: 2,3,3′,4,4′,5-Hexachlorobiphenyl; PCB No 156 solution; 2,3,3′,4,4′,5-六氯联苯; PCB 156 溶液

Database IDs

• CAS Number: 38380-08-4
• MDL Number: MFCD00152542
• PubChem SID: 162251192
• PubChem CID: 38019

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: 32.710842 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: -23 °C; -9.4 °F

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1208
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-33-38-48/20-51/53-62-65-67
• Safety Statements: 16-36/37-61-62
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H361f-H373-H411
• GHS Precautionary statements: P210-P261-P273-P281-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1208 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in hexane
• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C12H4Cl6