ChemSpider 2D Image | 1-[4-Chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole | C6H4Cl2N4S

1-[4-Chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID36325538

More details:

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

1-[4-Chlor-5-(chlormethyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-[4-Chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[4-Chloro-5-(chlorométhyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 4-chloro-5-(chloromethyl)-2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1507624-58-9 [RN]
MFCD23967744

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

Density: 1.8±0.1 g/cm3
Boiling Point: 434.4±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.5±30.9 °C
Index of Refraction: 1.792
Molar Refractivity: 55.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 11.04
ACD/KOC (pH 5.5): 194.20
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 11.04
ACD/KOC (pH 7.4): 194.20
Polar Surface Area: 72 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 130.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement