CAS
51449-07-1 Purity
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51449-07-1 Purity
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5-(2-Hydroxyphenyl)-1H-tetrazole
CAS
51449-77-5
Catalog Number
ACM51449775
Category
Other Products
Molecular Weight
162.14874
Molecular Formula
C7H6N4O
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Specification
Synonyms
1-Phenyl-5-hydroxytetrazole, 1H-Tetrazol-5-ol, 1-phenyl-, CID142846, ZINC00053406, BBV-25150600, 5H-Tetrazol-5-one, 1,2-dihydro-1-phenyl-, 51449-77-5
IUPAC Name
1-phenyl-2H-tetrazol-5-one
Canonical SMILES
C1=CC(=C2NNN=N2)C(=O)C=C1
InChI Key
FYYACQQSYSDVJB-UHFFFAOYSA-N
Boiling Point
391.8ºC at 760 mmHg
Melting Point
230ºC
Flash Point
190.8ºC
Density
1.458 g/cm³
Exact Mass
162.05400
H-Bond Acceptor
3
H-Bond Donor
1
Upstream Synthesis Route 1
- 611-20-1
- 51449-77-5
Reference: [1]Koguro, Kiyoto; Oga, Toshikazu; Mitsui, Sunao; Orita, Ryozo
[Synthesis, 1998, # 6, p. 910 - 914]
Upstream Synthesis Route 2
- 94-67-7
- 51449-77-5
Reference: [1]Tetrahedron Letters,2012,vol. 53,p. 3706 - 3709
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