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Substance Name: 1,2,5,6,9,10-Hexabromocyclododecane
RN: 3194-55-6
UNII: 66OON1WWOS
InChIKey: DEIGXXQKDWULML-UHFFFAOYSA-N

Classification Codes

  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)
  • TSCA Flag TP (Subject to the Proposed TSCA Section 4 Test Rule)

Molecular Formula

  • C12-H18-Br6

Molecular Weight

  • 641.6982
 
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Names and Synonyms

Name of Substance

  • 1,2,5,6,9,10-Hexabromocyclododecane

Synonyms

  • 1,2,5,6,9,10-Hexabromocyclododecane
  • Cyclododecane, 1,2,5,6,9,10-hexabromo-
  • EINECS 221-695-9
  • HBCD
  • Hexabromocyclododecane
  • HSDB 6110
  • UNII-66OON1WWOS

Systematic Names

  • 1,2,5,6,9,10-Hexabromocyclodecane
  • Cyclododecane, 1,2,5,6,9,10-hexabromo-

Superlist Name

  • Cyclododecane, 1,2,5,6,9,10-hexabromo-

Registry Numbers

CAS Registry Number

  • 3194-55-6

FDA UNII

  • 66OON1WWOS

Other Registry Number

  • 23774-70-1

System Generated Number

  • 0003194556

Structure Descriptors

InChI

InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2

InChIKey

DEIGXXQKDWULML-UHFFFAOYSA-N

Smiles

BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.740 (none)   EST
Water Solubility 0.0086 mg/L 25 EXP
Vapor Pressure 4.70E-07 mm Hg 21 EXP
Henry's Law Constant 4.60E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.01E-12 cm3/molecule-sec 25 EST

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