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Substance Name: 2,2',4,4',5-Pentachlorodiphenyl ether
RN: 60123-64-0
UNII: U53M18DZ2B
InChIKey: AVURWLKSFZBANQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-Cl5-O

Molecular Weight

  • 342.435
 
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Names and Synonyms

Name of Substance

  • 2,2',4,4',5-Pentachlorodiphenyl ether

Synonyms

  • 1,2,4-Trichloro-5-(2,4-dichlorophenoxy)benzene
  • 2,2',4,4',5-pentaCDE
  • 2,2',4,4',5-Pentachlorodiphenyl ether
  • Ether, 2,4-dichlorophenyl 2,4,5-trichlorophenyl
  • PCDE 99
  • Polychlorinated diphenyl ethers congener 99
  • UNII-U53M18DZ2B

Systematic Name

  • Benzene, 1,2,4-trichloro-5-(2,4-dichlorophenoxy)-

Registry Numbers

CAS Registry Number

  • 60123-64-0

FDA UNII

  • U53M18DZ2B

System Generated Number

  • 0060123640

Structure Descriptors

InChI

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

InChIKey

AVURWLKSFZBANQ-UHFFFAOYSA-N

Smiles

c1(Oc2c(cc(Cl)cc2)Cl)c(cc(Cl)c(c1)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.38 (none)   EXP
Atmospheric OH Rate Constant 6.88E-13 cm3/molecule-sec 25 EST

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