HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6861468Generated: November 4, 2026
2-Methoxybenzaldehyde oxime
AKOS B005788 · TIMTEC-BB SBB008011 · O-ANISALDEHYDE OXIME · 2-Methoxybenzaldoxime · LABOTEST-BB LT00068569 · 2-Methoxybenzaldehyde oxime · O-METHOXYBENZALDEHYDE OXIME · Benzaldehyde, 2-methoxy-, oxime
https://huagongshe.com/en/chemical/6861468
Identifiers & Physical Properties
| CAS No. | 29577-53-5 |
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| Molecular formula | C8H9NO2 |
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| Average molar mass | 151.16 g/mol |
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| Monoisotopic mass | 151.06332853 g/mol |
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| SMILES | COc1ccccc1/C=N/O |
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| InChIKey | CBQNSTKQBGIAEL-RMKNXTFCSA-N |
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| PubChem CID | 6861468 |
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| EC No. | 659-878-4 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 41.8 |
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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 | 11 |
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| Formal charge | 0 |
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| Complexity | 136 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Melting point | 100-101 °C |
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| Boiling point | 258.3±23.0 °C(Predicted) |
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| Density | 1.07±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 10.75±0.10(Predicted) |
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| CAS DataBase Reference | 29577-53-5(CAS DataBase Reference) |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501 |
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| Customs code | 2929900090 |
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Safety & Regulations
| GHS classification | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (97.5%) |
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| Customs code | 2929900090 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501 |
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