ethyl 2-(2H-tetrazol-5-yl)acetate (CAS: 13616-37-0) - Chemical Structure and Molecular Formula
ethyl 2-(2H-tetrazol-5-yl)acetate (CAS: 13616-37-0) - Chemical Structure Thumbnail

ethyl 2-(2H-tetrazol-5-yl)acetate

Catalog No:   FT-0720231

CAS No:   13616-37-0

  • Chemical Name:  ethyl 2-(2H-tetrazol-5-yl)acetate
  • Molecular Formula:  C5H8N4O2
  • Molecular Weight:  156.14
  • InChI Key:  NAOHMNNTUFFTBF-UHFFFAOYSA-N
  • InChI:  InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 312.3±44.0 °C at 760 mmHg
CAS: 13616-37-0
MF: C5H8N4O2
Density: 1.3±0.1 g/cm3
Melting_Point: 123-127ºC(lit.)
Product_Name: ethyl 1H-tetrazole-5-acetate
Flash_Point: 142.7±28.4 °C
FW: 156.143
MF: C5H8N4O2
Density: 1.3±0.1 g/cm3
Computational_Chemistry: ['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA :808 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass: 156.064728
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 142.7±28.4 °C
PSA: 80.76000
LogP: -0.28
Melting_Point: 123-127ºC(lit.)
Bolling_Point: 312.3±44.0 °C at 760 mmHg
FW: 156.143
Refractive_Index: 1.521
Hazard_Codes: Xi: Irritant;
HS_Code: 2933990090
Risk_Statements(EU): R36/37/38
Safety_Statements: 26-36

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