2,3',4,4',5,5'-六氯联苯

Description

2,3',4,4',5,5'-hexachlorobiphenyl · CAS 52663-72-6 · C12H4Cl6. UNII HD4MZI40CH. Vapor Pressure: 0.00000058 [mmHg]; LogP: 6.82; Collision Cross Section: 167.3 Ų [M-Cl+O]-.

Identification

CAS Registry Number	52663-72-6
PubChem CID	40479
Molecular formula	C12H4Cl6
IUPAC name	1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene
UNII (FDA)	HD4MZI40CH

Computed Descriptors

Molecular Weight	360.9
XLogP3	7.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	359.841466
Monoisotopic Mass	357.844416
Topological Polar Surface Area	0
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.00000058 [mmHg]
LogP	6.82
Collision Cross Section	167.3 Ų [M-Cl+O]-

Physical description & handling notes

• White solid; [MSDSonline]
• Solubility in water is extremely low. ... Soluble in oils and organic solvents.
• ... PCB's are chemically very inert and are stable to conditions of hydrolysis and oxidation in industrial use.
• 162.83 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
• 168.5 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
• Detected at trace levels in Clophen A50 and A60.

Regulatory Status

GHS notification summary	7.1% (3 / 42)

GHS Hazard Classification

GHS notification summary	7.1% (3 / 42)
Reported hazard statements	H373 (92.9%), H400 (92.9%), H410 (92.9%)

Documented Uses

• Commercial production of PCBs stopped in 1977 in the US; [HSDB]
• PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)
• 2,4,5-TRICHLOROANILINE IS COUPLED WITH 1,2,3-TRICHLOROBENZENE BY USING AN EXCESS OF THE LATTER REACTANT WHICH ALSO SERVES AS THE SOLVENT MEDIUM. THE COUPLING REACTION PROCEEDS SMOOTHLY AFTER THE ADDITION OF ISOAMYL NITRITE, AND THE PCB PRODUCT IS READILY ISOLATED AFTER A SERIES OF CHROMATOGRAPHIC PROCEDURES
• DOMESTIC /USA/ PRODUCTION OF POLYCHLORINATED BIPHENYLS WAS STOPPED IN OCTOBER 1977 /POLYCHLORINATED BIPHENYLS/

Synonyms

2,3',4,4',5,5'-Hexachlorobiphenyl; 52663-72-6; PCB 167; 2,3',4,4',5,5'-Hexachloro-1,1'-biphenyl; HD4MZI40CH; 1,1'-Biphenyl, 2,3',4,4',5,5'-hexachloro-; DTXSID7074165; 2,4,5,3',4',5'-HEXACHLOROBIPHENYL; RefChem:53532; DTXCID8041244; 1,2,4-trichloro-5-(3,4,5-trichlorophenyl)benzene; PCB No. 167; 1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene; CHEMBL136151; 23'44'55'-Hexachlorobiphenyl; HSDB 3947

Frequently Asked Questions

What are the CAS number and molecular formula of 2,3',4,4',5,5'-hexachlorobiphenyl?

CAS 52663-72-6; molecular formula C12H4Cl6; molecular weight — g/mol.

What other names is 2,3',4,4',5,5'-hexachlorobiphenyl known by?

2,3',4,4',5,5'-Hexachlorobiphenyl, 52663-72-6, PCB 167, 2,3',4,4',5,5'-Hexachloro-1,1'-biphenyl, HD4MZI40CH, 1,1'-Biphenyl, 2,3',4,4',5,5'-hexachloro-.

Is 2,3',4,4',5,5'-hexachlorobiphenyl classified as hazardous?

7.1% of GHS notifications report no hazard classification (3 of 42).

What are the key physical properties of 2,3',4,4',5,5'-hexachlorobiphenyl?

Vapor Pressure: 0.00000058 [mmHg]; LogP: 6.82; Collision Cross Section: 167.3 Ų [M-Cl+O]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.