Basic information
- CAS
20743-50-4- Standard SMILES
Cn1nnnc1-c1ccccc1- InChIKey
UIEGWLAONRMBOG-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 1-Methyl-5-phenyltetrazole
- IUPAC
- 1-methyl-5-phenyltetrazole
- English name
- 1H-Tetrazole, 1-methyl-5-phenyl-
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
1-Methyl-5-phenyltetrazole20743-50-41-Methyl-5-phenyl-1H-tetrazole1H-Tetrazole, 1-methyl-5-phenyl-Tetrazole, 1-methyl-5-phenyl-NSC-409690NSC4096901-methyl-5-phenyl-1H-1,2,3,4-tetrazole8LK5VPN5E81-methyl-5-phenyl-tetrazoleSCHEMBL822762SCHEMBL1031415
Show more names
SCHEMBL2649520SCHEMBL3065792SCHEMBL5285566SCHEMBL5698916UIEGWLAONRMBOG-UHFFFAOYSA-DTXSID00174816UIEGWLAONRMBOG-UHFFFAOYSA-N1-Methyl-5-phenyl-1H-tetraazole #
Database identifiers
- CAS
20743-50-4- PubChem CID
- 140752
- DTXSID
DTXSID00174816- UNII
- 8LK5VPN5E8
- Nikkaji
- J600.138F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 276.07 °C · 276.07°C (rough estimate)
- Density
- 1.2583 · 1.2583 (rough estimate)
- refractive index
- 1.5872 · 1.5872 (estimate)
- FDA UNII
- 8 LK5VPN5E8 · 8LK5VPN5E8
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
Fluorochem Ltd[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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