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1-Ethyl-1,2,4-triazole

  • Name 1-Ethyl-1,2,4-triazole
  • EINECS1312995-182-4
  • CAS No. 16778-70-4
  • Density1.11 g/cm3
  • PSA30.71000
  • LogP0.29800
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC4H7N3
  • Boiling Point188.1 °C at 760 mmHg
  • Molecular Weight97.12
  • Flash Point67.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 16778-70-4 (1-Ethyl-1,2,4-triazole)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data19

1-Ethyl-1,2,4-triazole Specification

The 1H-1,2,4-Triazole,1-ethyl- is an organic compound with the formula C4H7N3. The systematic name of this chemical is 1-Ethyl-1H-1,2,4-triazole. With the CAS registry number 16778-70-4, it is also named as 1-Ethyl-1,2,4-triazole. The product's category is Heterocycles. Besides, its molecular weight is 97.12.

Physical properties about 1H-1,2,4-Triazole,1-ethyl- are: (1)ACD/LogP: -0.33; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.6; (7)ACD/KOC (pH 7.4): 15.76; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 28.3 cm3; (13)Molar Volume: 87.2 cm3; (14)Polarizability: 11.22×10-24 cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.11 g/cm3; (17)Flash Point: 67.6 °C; (18)Enthalpy of Vaporization: 42.43 kJ/mol; (19)Boiling Point: 188.1 °C at 760 mmHg; (20)Vapour Pressure: 0.609 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
(2)InChIKey: FEOIYPLRWRCSMS-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
(4)Std. InChIKey: FEOIYPLRWRCSMS-UHFFFAOYSA-N

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