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Substance Name: 2,2',3,4',6-Pentachlorodiphenyl ether
RN: 116995-20-1
UNII: R97QAB7PN1
InChIKey: BRNKJDZWZYZVNM-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-Cl5-O

Molecular Weight

  • 342.4355
 
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Names and Synonyms

Name of Substance

  • 2,2',3,4',6-Pentachlorodiphenyl ether

Synonyms

  • 2,2',3,4',6-Pentachlorodiphenyl ether
  • PCDE 91
  • UNII-R97QAB7PN1

Registry Numbers

CAS Registry Number

  • 116995-20-1

FDA UNII

  • R97QAB7PN1

System Generated Number

  • 0116995201

Structure Descriptors

InChI

1S/C12H5Cl5O/c13-6-1-4-10(9(16)5-6)18-12-8(15)3-2-7(14)11(12)17/h1-5H

InChIKey

BRNKJDZWZYZVNM-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)Cl)Oc2c(ccc(c2Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.06 (none)   EXP
Atmospheric OH Rate Constant 6.88E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.