ChemSpider 2D Image | 2,4,6-TRIBROMOANISOLE | C7H5Br3O

2,4,6-TRIBROMOANISOLE

  • Molecular FormulaC7H5Br3O
  • Average mass344.826 Da
  • Monoisotopic mass341.789032 Da
  • ChemSpider ID21170966

More details:



Featured data source



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

1,3,5-Tribrom-2-methoxybenzol [German] [ACD/IUPAC Name]
1,3,5-Tribromo-2-methoxybenzene [ACD/IUPAC Name]
1,3,5-Tribromo-2-méthoxybenzène [French] [ACD/IUPAC Name]
2,4,6-TRIBROMOANISOLE [Wiki]
607-99-8 [RN]
anisole, 2,4,6-tribromo-
Benzene, 1,3,5-tribromo-2-methoxy- [ACD/Index Name]
DO7M3M4LX5
Methyl 2,4,6-tribromophenyl ether
"2,4,6-TRIBROMOANISOLE"
More...

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

33489_RIEDEL [DBID]
398780_ALDRICH [DBID]
AI3-00641 [DBID]
NSC 2218 [DBID]
NSC2218 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1829 (estimated with error: 89) NIST Spectra mainlib_58936
    • Retention Index (Normal Alkane):

      1633 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 55 m; Column type: Capillary; Description: 40C(3min) => 20C/min =>80C =>2C/min=>240C(45min); CAS no: 607998; Active phase: CP Sil 2; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Fuhrer, U.; Deissler, A.; Schreitmuller, J.; Ballschmiter, K., Analysis of Halogenated Methoxybenzenes and Hexachlorobenzene (HCB) in the Picogram m-3 Range in Marine Air, Chromatographia, 45, 1997, 414-427.) NIST Spectra nist ri
      1619.5 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 45 m; Column type: Capillary; Description: 80 0C (3 min) ^ 20 0C/min -> 170 0C (7.5 min) ^ 3 0C/min -> 300 0C (7 min); CAS no: 607998; Active phase: Ultra-2; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Looser, R.; Ballschmiter, K., Gas chromatographic separation of semivolatile organohalogen compounds on the new stationary phase Optima.delta.-3, J. Chromatogr. A, 836, 1999, 271-284.) NIST Spectra nist ri

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

Density: 2.1±0.1 g/cm3
Boiling Point: 298.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.5±25.0 °C
Index of Refraction: 1.608
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1306.95
ACD/KOC (pH 5.5): 5918.56
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1306.95
ACD/KOC (pH 7.4): 5918.56
Polar Surface Area: 9 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form