ChemSpider 2D Image | 3-Bromo-1,2,4-benzenetriol | C6H5BrO3

3-Bromo-1,2,4-benzenetriol

  • Molecular FormulaC6H5BrO3
  • Average mass205.006 Da
  • Monoisotopic mass203.942200 Da
  • ChemSpider ID24207207

More details:

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

1,2,4-Benzenetriol, 3-bromo- [ACD/Index Name]
3-Brom-1,2,4-benzoltriol [German] [ACD/IUPAC Name]
3-Bromo-1,2,4-benzenetriol [ACD/IUPAC Name]
3-Bromo-1,2,4-benzènetriol [French] [ACD/IUPAC Name]
"3-BROMOBENZENE-1,2,4-TRIOL"|"3-BROMOBENZENE-1,2,4-TRIOL"
1,2,4-Benzenetriol, 3-bromo- (9CI)
3-bromobenzene-1,2,4-triol
99910-88-0 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 302.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 136.6±26.5 °C
Index of Refraction: 1.714
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.16
ACD/KOC (pH 5.5): 142.26
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 113.15
Polar Surface Area: 61 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 100.9±3.0 cm3

Click to predict properties on the Chemicalize site


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