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1-Chloromethyl-1H-1,2,4-triazole

  • Name 1-Chloromethyl-1H-1,2,4-triazole
  • EINECSN/A
  • CAS No. 84387-62-2
  • Density1.44g/cm3
  • PSA30.71000
  • LogP0.47440
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC3H4ClN3
  • Boiling Point237.6 °C at 760 mmHg
  • Molecular Weight117.538
  • Flash Point97.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 84387-62-2 (1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

1-Chloromethyl-1H-1,2,4-triazole Specification

The 1H-1,2,4-Triazole,1-(chloromethyl)-, with the CAS registry number 84387-62-2, is also known as 1-Chloromethyl-1,2,4-triazole. This chemical's molecular formula is C3H4ClN3 and molecular weight is 117.54. What's more, its systematic name is 1-(Chloromethyl)-1H-1,2,4-triazole.

Physical properties about 1H-1,2,4-Triazole,1-(chloromethyl)- are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 30.71 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 28.48 cm3; (9)Molar Volume: 81.3 cm3; (10)Surface Tension: 51.4 dyne/cm; (11)Density: 1.44 g/cm3; (12)Flash Point: 97.5 °C; (13)Enthalpy of Vaporization: 47.44 kJ/mol; (14)Boiling Point: 237.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0445 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCn1ncnc1
(2) InChI: InChI=1/C3H4ClN3/c4-1-7-3-5-2-6-7/h2-3H,1H2
(3) InChIKey: PXNMFQMREJNQQT-UHFFFAOYAZ

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