1,2,3,4,5-pentachloro-6-(pentachlorophenyl)benzene

• ChemBase ID: 156398
• Molecular Formular: C12Cl10
• Molecular Mass: 498.6584
• Monoisotopic Mass: 493.6885268
• SMILES: c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c(c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
• InChIKey: ONXPZLFXDMAPRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentachloro-6-(pentachlorophenyl)benzene
• IUPAC Traditional name: decachlorobiphenyl
• Synonyms: 2,2′,3,3′,4,4′,5,5′,6,6′-PCB; Decachlorobiphenyl; PCB No 209; Decachlorobiphenyl; Decachlorobiphenyl solution; Decachlorobiphenyl solution; PCB No 209 solution; 十氯联苯; PCB 209; 十氯联苯; 十氯联苯 溶液; 十氯联苯 溶液; PCB 209 溶液

Database IDs

• CAS Number: 2051-24-3
• EC Number: 218-115-1
• MDL Number: MFCD00055243
• Beilstein Number: 2065289
• PubChem SID: 24867894; 24871874; 162250536; 24860587; 24861848
• PubChem CID: 16318
• Ballschmiter Number: 209

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.660918
• LogD (pH = 7.4): 9.660918
• Log P: 9.660918
• Molar Refractivity: 99.2422 cm^3
• Polarizability: 40.704983 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F; 24.8 °F; -4 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1090; 1206; 3432
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 9
• Packing Group: 2
• Risk Statements: 11-33-38-50/53-65-67; 33-50/53
• Safety Statements: 16-61-62; 60-61
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H304-H315-H336-H373-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 1090 3/PG 2; UN 1206 3/PG 2; UN 3432 9/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 10 μg/mL in heptane; 200 μg/mL in acetone
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 1 mL; ampule of 100 mg
• Suitability: suitable for 8082 per US EPA; suitable for 8310 per US EPA
• Feature: standard type surrogate
• Empirical Formula (Hill Notation): C12Cl10