Basic information
- CAS
438538-31-9- Standard SMILES
c1ccc(-c2ccc(-n3nnnc3-c3ccccc3)cc2)cc1- InChIKey
PFFQMGSHOOODCW-UHFFFAOYSA-N- Molecular formula
- C19H14N4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12184646
Names & identifiers
- Preferred name
- 1-biphenyl-4-yl-5-phenyl-1H-tetrazole
- IUPAC
- 5-phenyl-1-(4-phenylphenyl)tetrazole
Names & synonyms
CHEMBL4957081STK365537AKOS0054426681-biphenyl-4-yl-5-phenyl-1H-tetrazole1-(biphenyl-4-yl)-5-phenyl-1H-tetrazoleST504493915-phenyl-1-(4-phenylphenyl)-1,2,3,4-tetraazole438538-31-9
Database identifiers
- CAS
438538-31-9- PubChem CID
- 3697020
- ChEMBL
CHEMBL4957081- EC Number
- 159-269-9
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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