3-(1H-tetrazol-1-yl)phenol
Basic information
- CAS
125620-16-8- Standard SMILES
Oc1cccc(-n2cnnn2)c1- InChIKey
GXPLZNJTPPNNOA-UHFFFAOYSA-N- Molecular formula
- C7H6N4O
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.05416083
Names & identifiers
- Preferred name
- 3-(1H-tetrazol-1-yl)phenol
- IUPAC
- 3-(tetrazol-1-yl)phenol
- English name
- 3-(1H-Tetrazol-1-yl)phenol
- Molecular formula
- C7H6N4O
- Molecular weight
- 162.15
Names & synonyms
3-(1H-tetrazol-1-yl)phenol125620-16-8DTXSID40357641RefChem:273354DTXCID403086983-Tetrazol-1-yl-phenol3-(1-Tetrazolyl)phenol3-(tetrazol-1-yl)phenol3-(1H-1,2,3,4-tetrazol-1-yl)phenolMFCD01860802Phenol, 3-(1H-tetrazol-1-yl)-3-(1H-Tetraazol-1-yl)phenol
Show more names
OTAVA-BB BB7020410033
3-(1,2,3,4-tetraazolyl)phenol3-(1,2,3,4-tetrazol-1-yl)phenolBAS 01280119m-(1-tetrazolyl)phenolSCHEMBL1960697SCHEMBL29556202ALBB-018199AC3400
Database identifiers
- CAS
125620-16-8- PubChem CID
- 856192
- DTXSID
DTXSID40357641- Nikkaji
- J1.099.620A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
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Related reactions
3 records
Compound notes
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