ChemSpider 2D Image | 3-Bromonitrobenzene | C6H4BrNO2

3-Bromonitrobenzene

  • Molecular FormulaC6H4BrNO2
  • Average mass202.005 Da
  • Monoisotopic mass200.942535 Da
  • ChemSpider ID21111786

More details:

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

1-Brom-3-nitrobenzol [German] [ACD/IUPAC Name]
1-Bromo-3-nitrobenzene [ACD/IUPAC Name]
1-Bromo-3-nitrobenzène [French] [ACD/IUPAC Name]
209-563-9 [EINECS]
3-BROMO-1-NITROBENZENE
3-Bromonitrobenzene
3-Nitro-1-bromobenzene
585-79-5 [RN]
Benzene, 1-bromo-3-nitro- [ACD/Index Name]
m-bromonitrobenzene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2043212 [DBID]
17700_FLUKA [DBID]
AN-2711 [DBID]
BR-54798 [DBID]
CCRIS 4693 [DBID]
NSC 7084 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 265.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 103.6±19.8 °C
Index of Refraction: 1.606
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.67
ACD/KOC (pH 5.5): 610.26
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.67
ACD/KOC (pH 7.4): 610.26
Polar Surface Area: 46 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 117.5±3.0 cm3

Click to predict properties on the Chemicalize site


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