ChemSpider 2D Image | 4-Bromo-5-(isobutoxymethyl)-1-methyl-1H-pyrazole | C9H15BrN2O

4-Bromo-5-(isobutoxymethyl)-1-methyl-1H-pyrazole

  • Molecular FormulaC9H15BrN2O
  • Average mass247.132 Da
  • Monoisotopic mass246.036774 Da
  • ChemSpider ID53607354

More details:

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

1H-Pyrazole, 4-bromo-1-methyl-5-[(2-methylpropoxy)methyl]- [ACD/Index Name]
4-Brom-5-(isobutoxymethyl)-1-methyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-5-(isobutoxymethyl)-1-methyl-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-5-(isobutoxyméthyl)-1-méthyl-1H-pyrazole [French] [ACD/IUPAC Name]
1856042-60-8 [RN]
4-BROMO-1-METHYL-5-[(2-METHYLPROPOXY)METHYL]-1H-PYRAZOLE
4-BROMO-1-METHYL-5-[(2-METHYLPROPOXY)METHYL]PYRAZOLE
MFCD29911182

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

Density: 1.4±0.1 g/cm3
Boiling Point: 288.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 128.5±23.2 °C
Index of Refraction: 1.541
Molar Refractivity: 56.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.03
ACD/KOC (pH 5.5): 815.85
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.03
ACD/KOC (pH 7.4): 815.86
Polar Surface Area: 27 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 180.9±7.0 cm3

Click to predict properties on the Chemicalize site


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