1,4-dichloro-2-(2,5-dichlorophenyl)benzene

• ChemBase ID: 156159
• Molecular Formular: C12H6Cl4
• Molecular Mass: 291.98804
• Monoisotopic Mass: 289.92236091
• SMILES: c1cc(c(cc1Cl)c1cc(ccc1Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl
• InChI: InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
• InChIKey: HCWZEPKLWVAEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene
• IUPAC Traditional name: tetrachlorobiphenyl
• Synonyms: 2,2′,5,5′-Tetrachlorobiphenyl; 2,2′,5,5′-Tetrachlorobiphenyl (IUPAC No. 52); 2,2′,5,5′-PCB; PCB No 52; 2,2′,5,5′-Tetrachlorobiphenyl solution; PCB No 52 solution; 2,2′,5,5′-四氯联苯; 2,2′,5,5′-四氯联苯 (IUPAC No. 52); PCB 52; 2,2′,5,5′-四氯联苯 溶液; PCB 52 溶液

Database IDs

• CAS Number: 35693-99-3
• MDL Number: MFCD00055544
• Beilstein Number: 2053828
• PubChem SID: 24892211; 162250297
• PubChem CID: 37248
• Ballschmiter Number: 52

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0366497
• LogD (pH = 7.4): 6.0366497
• Log P: 6.0366497
• Molar Refractivity: 70.4134 cm^3
• Polarizability: 28.75483 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 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: 11-33-38-50/53-65-67; 33-50/53
• Safety Statements: 16-61-62; 35-60-61
• 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: Eyeshields, Gloves
• RID/ADR: UN 1262 3/PG 2; UN 3432 9/PG 2
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: mouse ... Esr1(13982)

Product Information

• Concentration: 10 ng/μL in isooctane
• Grade: analytical standard, for environmental analysis; BCR® certified Reference Material
• Empirical Formula (Hill Notation): C12H6Cl4

DETAILS

Sigma Aldrich - BCR293

Legal Information
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