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

• ChemBase ID: 156121
• Molecular Formular: C12H4Cl6
• Molecular Mass: 360.87816
• Monoisotopic Mass: 357.84441621
• SMILES: c1cc(c(c(c1c1cc(c(cc1Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl
• InChI: InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
• InChIKey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene
• IUPAC Traditional name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene
• Synonyms: 2,2′,3,4,4′,5′-PCB; 2,2′,3,4,4′,5′-Hexachlorobiphenyl; PCB No 138; 2,2′,3,4,4′,5′-Hexachlorobiphenyl (IUPAC No. 138); 2,2′,3,4,4′,5′-Hexachlorobiphenyl solution; PCB No 138 solution; 2,2′,3,4,4′,5′-六氯联苯; PCB 138; 2,2′,3,4,4′,5′-六氯联苯（IUPAC 编号138）; 2,2′,3,4,4′,5′-六氯联苯 溶液; PCB 138 溶液

Database IDs

• CAS Number: 35065-28-2
• EC Number: 208-759-1
• MDL Number: MFCD00055552
• Beilstein Number: 2508233
• PubChem SID: 162250259; 24892212
• PubChem CID: 37035
• Ballschmiter Number: 138

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: 32.691135 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F; 10.4 °F; -12 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1262; 3432
• German water hazard class: 2; 3
• Hazard Class: 3; 9
• Packing Group: 2
• Risk Statements: 11-38-50/53-65-67; 33-50/53
• Safety Statements: 35-60-61; 9-16-29-33-60-61-62
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H304-H315-H336-H410; H373-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501; P273-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• RID/ADR: UN 1262 3/PG 2; UN 3432 9/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 10 ng/μL in isooctane
• Grade: analytical standard, for environmental analysis; BCR® certified Reference Material
• Empirical Formula (Hill Notation): C12H4Cl6

DETAILS

Sigma Aldrich - BCR296

Legal Information
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