ChemSpider 2D Image | PERBROMOBENZENE | C6Br6

PERBROMOBENZENE

  • Molecular FormulaC6Br6
  • Average mass551.488 Da
  • Monoisotopic mass545.510010 Da
  • ChemSpider ID6639

More details:






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

87-82-1 [RN]
Benzene, 1,2,3,4,5,6-hexabromo- [ACD/Index Name]
Hexabrombenzol [German] [ACD/IUPAC Name]
Hexabromobenzene [ACD/IUPAC Name]
Hexabromobenzène [French] [ACD/IUPAC Name]
PERBROMOBENZENE
1,2,3,4,5,6-hexabromobenzene
201-773-9 [EINECS]
36355-01-8 [RN]
Benzene hexabromide
More...

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

107131_ALDRICH [DBID]
442605_SUPELCO [DBID]
45524_RIEDEL [DBID]
45862_RIEDEL [DBID]
AI3-60220 [DBID]
CCRIS 5917 [DBID]
HSDB 2912 [DBID]
NSC 113975 [DBID]
NSC113975 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      327 °C Oxford University Chemical Safety Data (No longer updated) More details
      327 °C Jean-Claude Bradley Open Melting Point Dataset 15835
      326 °C Jean-Claude Bradley Open Melting Point Dataset 21018
      306 °C Jean-Claude Bradley Open Melting Point Dataset 28163, 28164
      300 °C Alfa Aesar B23295
  • Miscellaneous
    • Appearance:

      white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      26-37 Alfa Aesar B23295
      36/37/38 Alfa Aesar B23295
      H315-H319-H335 Alfa Aesar B23295
      Harmful/Irritant/Light Sensitive SynQuest 1600-8-07
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B23295
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar B23295
      WARNING: Irritates lungs, eyes, skin Alfa Aesar B23295
  • Gas Chromatography
    • Retention Index (Kovats):

      2599 (estimated with error: 62) NIST Spectra mainlib_228436, replib_292081, replib_64121
    • Retention Index (Normal Alkane):

      2379.2 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 1.1 m; Column type: Packed; Heat rate: 8.5 K/min; Start T: 50 C; End T: 300 C; CAS no: 87821; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Saxton, W.L., Emergence temperature indices and relative retention times of pesticides and industrial chemicals determined by linear programmed temperature gas chromatography, J. Chromatogr., 393, 1987, 175-194.) NIST Spectra nist ri
      2472.5 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Description: 100C(1min) => 30C/min=> 150C(2min) => 3C/min=> 205C => 10C/min =>260C(29min); CAS no: 87821; Active phase: SE-54; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Stan, H.-J., Pesticide residue analysis in foodstuffs applying capillary gas chromatography with mass spectrometric detection State-of-the-art use of modified DFG-multimethod S19 and automated data evaluation, J. Chromatogr. A, 892, 2000, 347-377.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 3.0±0.1 g/cm3
Boiling Point: 417.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 199.6±22.1 °C
Index of Refraction: 1.704
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28688.63
ACD/KOC (pH 5.5): 54002.43
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28688.63
ACD/KOC (pH 7.4): 54002.43
Polar Surface Area: 0 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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