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

• ChemBase ID: 156352
• Molecular Formular: C12H3Cl7
• Molecular Mass: 395.32322
• Monoisotopic Mass: 391.80544386
• SMILES: c1cc(c(c(c1c1cc(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c(Cl)ccc(c1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H
• InChIKey: RMPWIIKNWPVWNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene
• IUPAC Traditional name: 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene
• Synonyms: 2,2′,3,3′,4,4′,5-PCB; 2,2′,3,3′,4,4′,5-Heptachlorobiphenyl; PCB No 170; 2,2′,3,3′,4,4′,5-七氯联苯; PCB 170

Database IDs

• CAS Number: 35065-30-6
• MDL Number: MFCD00152517
• PubChem SID: 24860898; 162250490
• PubChem CID: 37037

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.848784
• LogD (pH = 7.4): 7.848784
• Log P: 7.848784
• Molar Refractivity: 84.8278 cm^3
• Polarizability: 34.696323 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: DV5321200
• 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): C12H3Cl7