ChemSpider 2D Image | 5-(Butoxymethyl)-1-butyl-1H-pyrazole-4-sulfonyl chloride | C12H21ClN2O3S

5-(Butoxymethyl)-1-butyl-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC12H21ClN2O3S
  • Average mass308.825 Da
  • Monoisotopic mass308.096130 Da
  • ChemSpider ID53607436

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 5-(butoxymethyl)-1-butyl- [ACD/Index Name]
5-(Butoxymethyl)-1-butyl-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
5-(Butoxymethyl)-1-butyl-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 5-(butoxyméthyl)-1-butyl-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]
1856018-44-4 [RN]
5-(BUTOXYMETHYL)-1-BUTYLPYRAZOLE-4-SULFONYL CHLORIDE
MFCD29911264

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

Density: 1.2±0.1 g/cm3
Boiling Point: 410.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 202.1±25.9 °C
Index of Refraction: 1.541
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.54
ACD/KOC (pH 5.5): 1112.69
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.54
ACD/KOC (pH 7.4): 1112.69
Polar Surface Area: 70 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 247.2±7.0 cm3

Click to predict properties on the Chemicalize site


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