HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 858905Generated: November 3, 2026
5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
2H-Tetrazole, 5-[4-(1-methylethyl)phenyl]- · 5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
https://huagongshe.com/en/chemical/858905
Identifiers & Physical Properties
| CAS No. | 460363-75-1 |
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| Molecular formula | C10H12N4 |
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| Average molar mass | 188.23 g/mol |
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| Monoisotopic mass | 188.1061964 g/mol |
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| SMILES | CC(C)c1ccc(-c2nn[nH]n2)cc1 |
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| InChIKey | SZGJVSUTMOTAIB-UHFFFAOYSA-N |
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| PubChem CID | 858905 |
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| ChEMBL | CHEMBL1363772 |
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| ChEBI | CHEBI:116607 |
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| EC No. | 879-821-9 |
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Chemical & Physical Properties
| XLogP | 2.3 |
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| Topological polar surface area | 54.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 175 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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![5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole molecular structure](/img/chemical/858905.png)