HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18616949Generated: November 4, 2026
[2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid
2-Hydroxy-5-isopropylphenylboronic acid · (2-Hydroxy-5-propan-2-ylphenyl)boronic acid · Boronic acid, B-[2-hydroxy-5-(1-methylethyl)phenyl]- · Boronic acid, [2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
https://huagongshe.com/en/chemical/18616949
Identifiers & Physical Properties
| CAS No. | 259209-33-1 |
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| Molecular formula | C9H13BO3 |
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| Average molar mass | 180.01 g/mol |
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| Monoisotopic mass | 180.0957744 g/mol |
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| SMILES | CC(C)c1ccc(O)c(B(O)O)c1 |
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| InChIKey | WCFJCIMGOCZBLG-UHFFFAOYSA-N |
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| PubChem CID | 18616949 |
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| DTXSID | DTXSID70595155 |
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Chemical & Physical Properties
| Topological polar surface area | 60.7 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 161 |
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| Boiling point | 340.0±52.0 °C(Predicted) |
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| Density | 1.16±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 8.66±0.58(Predicted) |
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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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![[2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid molecular structure](/img/chemical/18616949.png)