ChemSpider 2D Image | PBB 153 | C12H4Br6

PBB 153

  • Molecular FormulaC12H4Br6
  • Average mass627.584 Da
  • Monoisotopic mass621.541260 Da
  • ChemSpider ID39145

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1'-Biphenyl, 2,2',4,4',5,5'-hexabromo- [ACD/Index Name]
2,2',4,4',5,5'-Hexabrombiphenyl [German] [ACD/IUPAC Name]
2,2',4,4',5,5'-Hexabromobiphenyl [ACD/IUPAC Name]
2,2',4,4',5,5'-Hexabromobiphényle [French] [ACD/IUPAC Name]
67774-32-7 [RN]
PBB 153
1,1'-Biphenyl, 3,3',4,4',5,5'-hexabromo- [ACD/Index Name]
1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene
1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene
2,2',4,4',5,5'-hexabromo[biphenyl]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9S2PWX7KBN [DBID]
BRN 1991358 [DBID]
CCRIS 312 [DBID]
CCRIS 5773 [DBID]
CCRIS 5774 [DBID]
HSDB 2913 [DBID]
HSDB 7064 [DBID]
UNII:9S2PWX7KBN [DBID]
UNII-9S2PWX7KBN [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      3285 (estimated with error: 62) NIST Spectra mainlib_77809

    • Retention Index (Normal Alkane):

      2819.8 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 90 0C (4 min) ^ 18 0C/min -> 180 0C (1 min) ^ 0.9 0C/min -> 200 0C (1 min) ^ 1.5 0C/min -> 270 0C (15 min); CAS no: 59080409; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Najam, A.R.; Korver, M.P.; Williams, C.C.; Burse, V.W.; Needham, L.L., Analysis of a mixture of polychlorinated biphenyls and chlorinated pesticides in human serum by column fractionation and dual-column capillary gas chromatography with electron capture detection, J. AOAC Int., 82(1), 1999, 177-185.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 474.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 231.9±22.1 °C
Index of Refraction: 1.697
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 337036.59
ACD/KOC (pH 5.5): 314981.34
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 337036.59
ACD/KOC (pH 7.4): 314981.34
Polar Surface Area: 0 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 251.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement