2,3,4,5,6-Pentachlorobiphenyl

Base Information Edit

Chemical Name:2,3,4,5,6-Pentachlorobiphenyl
CAS No.:18259-05-7
Molecular Formula:C12H5 Cl5
Molecular Weight:326.437
Hs Code.:2903999010
European Community (EC) Number:246-974-2
UNII:112AB9M1UF
DSSTox Substance ID:DTXSID40864820
Nikkaji Number:J147.967I
Wikidata:Q27115914
Metabolomics Workbench ID:54940
ChEMBL ID:CHEMBL275246
Mol file:18259-05-7.mol

Synonyms:2,3,4,5,6-Pentachlorobiphenyl;18259-05-7;PENTACHLOROBIPHENYL;1,1'-Biphenyl, 2,3,4,5,6-pentachloro-;Diphenyl pentachloride;Pyralene 1476;PCB 116;1,2,3,4,5-pentachloro-6-phenylbenzene;Pyroclor 5;Pentachlorodiphenyl;Biphenyl, 2,3,4,5,6-pentachloro-;Kanekrol 500;2,3,4,5,6-PENTACHLORO-1,1'-BIPHENYL;Apirolio 1476 C;Biphenyl, pentachloro-;Pentachloro-1,1'-biphenyl;UNII-112AB9M1UF;C12H5Cl5;Pentachloro(1,1'-biphenyl);1,1'-Biphenyl, pentachloro-;PCB No. 116;112AB9M1UF;CHEBI:34219;EINECS 246-974-2;25429-29-2;pentachloro-biphenyl;2,3,4,5,6-Pentacb;SCHEMBL142795;UNII-E20W17P8M3;CHEMBL275246;DTXSID40864820;PCB-116;E20W17P8M3;2,3,4,5,6-Pentachloro-Biphenyl;LS-44512;PCB 116 (2,3,4,5,6-Pentachlorobiphenyl);Q27115914

Suppliers and Price of 2,3,4,5,6-Pentachlorobiphenyl

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 2,3,4,5,6-Pentachlorobiphenyl Edit

Chemical Property:

Vapor Pressure:2.22E-05mmHg at 25°C
Melting Point:123.5°C
Refractive Index:1.6200 (rough estimate)
Boiling Point:371.4°Cat760mmHg
Flash Point:178.1°C
PSA：0.00000
Density:1.522g/cm³
LogP:6.62060
Water Solubility.:4.015ug/L(25 oC)
XLogP3:6.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:325.880439
Heavy Atom Count:17
Complexity:237

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
Uses 2,3,4,5,6-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,3,4,5,6-Pentachlorobiphenyl

There total 4 articles about 2,3,4,5,6-Pentachlorobiphenyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 118-74-1,67471-27-6
hexachlorobenzene

: 98-80-6
phenylboronic acid

: 608-93-5
pentachlorobenzene

: 18259-05-7
2,3,4,5,6-pentachlorobiphenyl

Guidance literature:: With potassium phosphate; 18-crown-6 ether; 1,3-phenylene-bis-(1H)-tetrazole; palladium diacetate; In N,N-dimethyl-formamide; at 95 ℃; for 7h; Title compound not separated from byproducts;
DOI:10.1007/s11172-006-0224-0

Reference yield:

: 108-86-1,52753-63-6
bromobenzene

: 118-74-1,67471-27-6
hexachlorobenzene

: 92-52-4,1594-86-1
biphenyl

: 608-93-5
pentachlorobenzene

: 18259-05-7
2,3,4,5,6-pentachlorobiphenyl

Guidance literature:: bromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; for 0.333333h; cooling;

With zinc(II) chloride; In tetrahydrofuran; hexane; at 20 ℃; for 0.333333h;

hexachlorobenzene; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; for 24h; Heating;
DOI:10.1007/s11172-005-0342-0

Reference yield:

: 118-74-1,67471-27-6
hexachlorobenzene

: 98-80-6
phenylboronic acid

: 92-52-4,1594-86-1
biphenyl

: 18259-05-7
2,3,4,5,6-pentachlorobiphenyl

Guidance literature:: hexachlorobenzene; With potassium phosphate; 18-crown-6 ether; 1,3-phenylene-bis-(1H)-tetrazole; palladium diacetate; In N,N-dimethyl-formamide; for 0.166667h;

phenylboronic acid; In N,N-dimethyl-formamide; at 90 ℃; for 7h;
DOI:10.1007/s11172-005-0342-0