ChemSpider 2D Image | 3-Chloro-6-ethoxy-1,2,4,5-tetrazine | C4H5ClN4O

3-Chloro-6-ethoxy-1,2,4,5-tetrazine

  • Molecular FormulaC4H5ClN4O
  • Average mass160.562 Da
  • Monoisotopic mass160.015182 Da
  • ChemSpider ID57425566

More details:

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

1,2,4,5-Tetrazine, 3-chloro-6-ethoxy- [ACD/Index Name]
3-Chlor-6-ethoxy-1,2,4,5-tetrazin [German] [ACD/IUPAC Name]
3-Chloro-6-ethoxy-1,2,4,5-tetrazine [ACD/IUPAC Name]
3-Chloro-6-éthoxy-1,2,4,5-tétrazine [French] [ACD/IUPAC Name]
1398304-97-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 290.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 129.3±22.6 °C
Index of Refraction: 1.519
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.23
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.23
Polar Surface Area: 61 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 114.8±3.0 cm3

Click to predict properties on the Chemicalize site


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