2,4-dichloro-1-(4-chlorophenyl)benzene

• ChemBase ID: 156177
• Molecular Formular: C12H7Cl3
• Molecular Mass: 257.54298
• Monoisotopic Mass: 255.96133326
• SMILES: c1cc(ccc1c1ccc(cc1Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
• InChIKey: BZTYNSQSZHARAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1-(4-chlorophenyl)benzene
• IUPAC Traditional name: 2,4,4'-trichlorobiphenyl
• Synonyms: 2,4,4′-PCB; 2,4,4′-Trichlorobiphenyl; PCB No 28; 2,4,4′-Trichlorobiphenyl solution; PCB No 28 solution; 2,4,4′-Trichlorobiphenyl; 2,4,4′-三氯联苯; PCB 28; 2,4,4′-三氯联苯 溶液; PCB 28 溶液; 2,4,4′-三氯联苯

Database IDs

• CAS Number: 7012-37-5
• EC Number: 215-648-1; 230-293-2
• MDL Number: MFCD00055554
• Beilstein Number: 1956846
• PubChem SID: 24861856; 162250315; 24892210; 24862947
• PubChem CID: 23448
• Ballschmiter Number: 28

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4326053
• LogD (pH = 7.4): 5.4326053
• Log P: 5.4326053
• Molar Refractivity: 65.6086 cm^3
• Polarizability: 26.866024 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; 100 °C; 210 °F; 39.2 °F; 4 °C

Safety Information

• RTECS: DV8840000
• 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; 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
• 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): C12H7Cl3

DETAILS

Sigma Aldrich - BCR291

Legal Information
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