ChemSpider 2D Image | 4-Bromo-5-(butoxymethyl)-1-sec-butyl-1H-pyrazole | C12H21BrN2O

4-Bromo-5-(butoxymethyl)-1-sec-butyl-1H-pyrazole

  • Molecular FormulaC12H21BrN2O
  • Average mass289.212 Da
  • Monoisotopic mass288.083710 Da
  • ChemSpider ID53607349

More details:

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

1H-Pyrazole, 4-bromo-5-(butoxymethyl)-1-(1-methylpropyl)- [ACD/Index Name]
4-Brom-5-(butoxymethyl)-1-sec-butyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-5-(butoxymethyl)-1-sec-butyl-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-5-(butoxyméthyl)-1-sec-butyl-1H-pyrazole [French] [ACD/IUPAC Name]
1855946-62-1 [RN]
4-BROMO-1-(BUTAN-2-YL)-5-(BUTOXYMETHYL)-1H-PYRAZOLE
4-BROMO-5-(BUTOXYMETHYL)-1-(SEC-BUTYL)PYRAZOLE
MFCD29911177

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

Density: 1.3±0.1 g/cm3
Boiling Point: 331.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 154.0±23.7 °C
Index of Refraction: 1.529
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.11
ACD/KOC (pH 5.5): 2380.35
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.12
ACD/KOC (pH 7.4): 2380.36
Polar Surface Area: 27 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 34.8±7.0 dyne/cm
Molar Volume: 229.2±7.0 cm3

Click to predict properties on the Chemicalize site


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