2,3,4,5,6-Pentachlorodiphenyl ether

Base Information

• Chemical Name: 2,3,4,5,6-Pentachlorodiphenyl ether
• CAS No.: 42279-29-8
• Molecular Formula: C12H5 Cl5 O
• Molecular Weight: 342.42
• UNII: 64AS9UP9JW
• DSSTox Substance ID: DTXSID6074049
• Nikkaji Number: J584.342A
• Wikidata: Q27263736
• Mol file: 42279-29-8.mol

Synonyms:Ether, pentachlorophenyl;Pentachloro diphenyl ether;2,3,4,5,6-Pentachlorodiphenyl ether;Phenyl ether pentachloro;Pentachloro diphenyl oxide;42279-29-8;UNII-64AS9UP9JW;64AS9UP9JW;UNII-57JY9B6G21;Benzene, 1,1'-oxybis-, pentachloro deriv.;22274-42-6;PENTACHLORODIPHENYLOXIDE;1,2,3,4,5-pentachloro-6-phenoxybenzene;Pentachlorophenylphenyl ether;PCDE 116;SCHEMBL3689752;DTXSID6074049;57JY9B6G21;LS-67884;benzene, 1,2,3,4,5-pentachloro-6-phenoxy-;Q27263736;InChI=1/C12H5Cl5O/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5

Chemical Property of 2,3,4,5,6-Pentachlorodiphenyl ether

Chemical Property:

• Vapor Pressure: 3.6E-05mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 364.2°Cat760mmHg
• Flash Point: 129.3°C
• PSA: 9.23000
• Density: 1.558g/cm³
• LogP: 6.74590
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 341.875353
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

PENTACHLORODIPHENYLOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl