Tetrazole

1H-Tetrazole
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.005.477 Edit this at Wikidata
UNII
  • InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5) checkY
    Key: KJUGUADJHNHALS-UHFFFAOYSA-N checkY
  • InChI=1/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
    Key: KJUGUADJHNHALS-UHFFFAOYAI
  • InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
    Key: KJUGUADJHNHALS-UHFFFAOYSA-N
  • [nH]1nnnc1
Properties
CH2N4
Molar mass 70.05 g/mol
Density 1.477 g/mL
Melting point 157 to 158 °C (315 to 316 °F; 430 to 431 K)[2]
Boiling point 220 ± 23 °C (428 ± 41 °F; 493 ± 23 K)
Acidity (pKa) 4.90[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Tetrazoles are a class of synthetic organic heterocyclic compound, consisting of a 5-member ring of four nitrogen atoms and one carbon atom. The name tetrazole also refers to the parent compound with formula CH2N4, of which three isomers can be formulated.

  1. ^ Satchell, Jacqueline F.; Smith, Brian J. (2002). "Calculation of aqueous dissociation constants of 1,2,4-triazole and tetrazole: A comparison of solvation models". Phys. Chem. Chem. Phys. 4 (18): 4314–4318. Bibcode:2002PCCP....4.4314S. doi:10.1039/b203118c.
  2. ^ Mihina, Joseph S.; Herbst, Robert M. (1950). "The Reaction of Nitriles with Hydrazoic Acid: Synthesis of Monosubstituted Tetrazoles". J. Org. Chem. 15 (5): 1082–1092. doi:10.1021/jo01151a027.