38380-07-3

Basic information

• Product Name: 2,2',3,3',4,4'-HEXACHLOROBIPHENYL
• Synonyms: 2,3,4,2',3',4'-Hexachlorobiphenyl;2,3,4,2’,3’,4’-hexachlorobiphenyl;pcb128;PCB-128;1,1'-BIPHENYL,2,2',3,3',4,;Inchi=1/C12H4cl6/C13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/H1-4;2.2'.3.3'.4.4'-Hexachlorobiphenyl 20mg [38380-07-3];2,2',3,3',4,4'-Hexachlorobiphenyl (BZ# 128)
• CAS NO: 38380-07-3
• Molecular Formula: C12H4Cl6
• Molecular Weight: 360.88
• Mol File: 38380-07-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 151°C
• Boiling Point: 446.99°C (rough estimate)
• Flash Point: 198.9 °C
• Appearance: /
• Density: 1.5940 (rough estimate)
• Refractive Index: 1.6270 (rough estimate)
• Storage Temp.: room temp
• Solubility: Acetonitrile (Slightly, Heated, Sonicated), Chloroform (Slightly), Ethyl Acetate
• Water Solubility: 0.3497ug/L(25 oC)
• CAS DataBase Reference: 2,2',3,3',4,4'-HEXACHLOROBIPHENYL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2',3,3',4,4'-HEXACHLOROBIPHENYL(38380-07-3)
• EPA Substance Registry System: 2,2',3,3',4,4'-HEXACHLOROBIPHENYL(38380-07-3)

Safety Data

• Hazard Codes: N
• Statements: 33-50/53
• Safety Statements: 60-61
• Hazardous Substances Data: 38380-07-3(Hazardous Substances Data)

Usage

Uses

2,2'',3,3'',4,4''-Hexachlorobiphenyl is a polychlorinated biphenyl (PCB) found in air, soil, mammals, and marine animals.

Upstream product

• 696-62-8 para-iodoanisole 
• 62720-28-9 1,2,3-trichloro-4-iodobenzene 
• 87-61-6 1,2,3-trichlorobenzene 

Downstream Products

• 57117-40-5 3,4,6,7-tetrachlorodibenzofuran 
• 57117-42-7 1,2,3,6,7-pentachlorodibenzofuran 

Relevant articles and documents

Mechanism of PCBs formation from the pyrolysis of chlorobenzenes

Polychlorinated biphenyls (PCBs) were formed by pyrolysis of chlorobenzenes in a HCl atmosphere. Varieties of substituted chlorobenzenes were used as model compounds to optimize the condensation reaction. Lower chlorinated benzenes produce more PCBs than that of higher ones. Up to 0.7 μg PCBs/mg 1,2,3-trichlorobenzene was produced through the condensation reaction.

SYNTHESIS AND MASS SPECTROMETRY OF SOME METHOXYLATED PCB

The syntheses of 46 methoxy-polychlorobiphenyls (MeO-CBs), containing 3 to 7 chlorine atoms, are described. The MeO-CBs were synthesized via the Cadogan diaryl coupling reaction of the appropriate polychloroaniline and polychloroanisole, or via the Ullmann coupling of a polychloroiodobenzene and 4-iodoanisole with subsequent chlorination of the isolated 4-MeO-CB product. The synthesized MeO-CBs were characterized by electron ionization (EI) mass spectrometry (MS) on an ion trap MS instrument and by EI and negative ion chemical ionization (NICI) on a quadrupole mass spectrometer. Both instruments gave similar EI spectra but the fragments were in general more abundant relative to the molecular ion, in the spectra obtained from the ion trap instrument. Characteristic fragmentation patterns were obtained by EI for ortho-, meta- and para-MeO-CBs, respectively, depending on the position of the MeO-group, with the exception of three meta-substituted MeO-heptaCBs, with a 3-MeO-2,4,6-trichloro-substitution pattern, that gave an abundant +-fragment, similar to para-substituted MeO-CBs. MS(NICI) of ortho-, meta- and para-MeO-CBs did not give any characteristic fragmentation patterns depending on the position of the MeO-group, except for ortho-substituted MeO-CBs that showed abundant fragments at -. The MS(NICI) gave approximately 10-50 times higher response for MeO-tetraCBs - MeO-heptaCBs than the MS(EI). The ion trap instrument (ITS40) has a somewhat lower detection-limit than the quadrupole MS when operated in the EI-mode.