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1,4-Dihydro-5H-Tetrazol-5-One
[CAS 16421-52-6]

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Identification
Name 1,4-Dihydro-5H-Tetrazol-5-One
Synonyms 1,2-Dihydro-1,2,3,4-Tetrazol-5-One; 5-Hydroxytetrazole; 5H-Tetrazol-5-One, 1,4-Dihydro-
Molecular Structure CAS#: 16421-52-6, 1,4-Dihydro-5H-Tetrazol-5-One
Molecular Formula CH2N4O
Molecular Weight 86.05
CAS Registry Number 16421-52-6
SMILES O=C1NNN=N1
InChI 1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
InChIKey JXBKZAYVMSNKHA-UHFFFAOYSA-N
Properties
Density 2.416g/cm3 (Cal.)
Boiling point 437.8°C at 760 mmHg (Cal.)
Flash point 218.6°C (Cal.)
References
(1) Mark A. Spackman, Joshua J. McKinnon and Dylan Jayatilaka. Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals, CrystEngComm, 2008, 10, 377.
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