Basic information
- CAS
460363-75-1- Standard SMILES
CC(C)c1ccc(-c2nn[nH]n2)cc1- InChIKey
SZGJVSUTMOTAIB-UHFFFAOYSA-N- Molecular formula
- C10H12N4
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.1061964
Overview
5-(4-propan-2-ylphenyl)-2H-tetrazole is a member of tetrazoles.
Names & identifiers
- Preferred name
- 5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
- IUPAC
- 5-(4-propan-2-ylphenyl)-2H-tetrazole
- English name
- 5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
- Molecular formula
- C10H12N4
- Molecular weight
- 188.23
Names & synonyms
5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole460363-75-15-(4-propan-2-ylphenyl)-2H-tetrazoleMLS0000538895-(4-Isopropylphenyl)-1H-tetrazoleBAS 04935539SCHEMBL1346207SCHEMBL2627809CHEMBL1363772CHEBI:116607SZGJVSUTMOTAIB-UHFFFAOYSA-NHMS2391I23
Show more names
2H-Tetrazole, 5-[4-(1-methylethyl)phenyl]-
KTA363755-(4-isopropylphenyl)-2H-tetrazole5-(4-isopropylphenyl)-2H-tetraazoleAKOS000661398AKOS001043567SMR000064224EN300-17748G21190
Database identifiers
- CAS
460363-75-1- PubChem CID
- 858905
- ChEMBL
CHEMBL1363772- ChEBI
CHEBI:116607- EC Number
- 879-821-9
- Nikkaji
- J3.092.701J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Additional notes
DefinitionChEBI: 5-(4-propan-2-ylphenyl)-2H-tetrazole is a member of tetrazoles.
Related reactions
2 records
Compound notes
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