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2-Phenyl-1,2,3-triazole

  • Name 2-Phenyl-1,2,3-triazole
  • EINECSN/A
  • CAS No. 51039-49-7
  • Density1.16 g/cm3
  • PSA30.71000
  • LogP1.26730
  • SolubilityN/A
  • Melting Point162℃
  • FormulaC8H7N3
  • Boiling Point280.2 °C at 760 mmHg
  • Molecular Weight145.164
  • Flash Point123.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 51039-49-7 (2-Phenyl-2H-1,2,3-triazole)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data19

2-Phenyl-1,2,3-triazole Specification

The CAS register number of 2-Phenyl-1,2,3-triazole is 51039-49-7. It also can be called as 2H-1,2,3-triazole, 2-phenyl- and the systematic name about this chemical is 2-phenyl-2H-1,2,3-triazole. The molecular formula about this chemical is C8H7N3 and the molecular weight is 145.1613.

Physical properties about 2-Phenyl-1,2,3-triazole are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 13.79; (5)ACD/BCF (pH 7.4): 13.79; (6)ACD/KOC (pH 5.5): 227.63; (7)ACD/KOC (pH 7.4): 227.63; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 44.37 cm3; (13)Molar Volume: 124.3 cm3; (14)Polarizability: 17.59x10-24cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 123.2 °C; (18)Enthalpy of Vaporization: 51.89 kJ/mol; (19)Boiling Point: 280.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00385 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnn1c2ccccc2
(2)InChI: InChI=1/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
(3)InChIKey: JYBWAYHAOLQZJX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
(5)Std. InChIKey: JYBWAYHAOLQZJX-UHFFFAOYSA-N

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