4-Hydroxy-3-methoxy-5-nitrobenzaldehyde
5-Nitrovanillin
CAS: 6635-20-7
Molecular Formula: C8H7NO5
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde - Names and Identifiers
| Name | 5-Nitrovanillin |
| Synonyms | AURORA 13227 5-Nitrovanilin 5-nitrovalillin ASISCHEM R40895 5-Nitrovanillin 5-nitro vanilline 4-HYDROXY-5-NITRO-3-ANISALDEHYDE 3-METHOXY-4-HYDROXY-5-NITROBENZALDEHYDE 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde 4-HYDROXY-3-METHOXY-5-NITRO-BENZALDEHYDE 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde for synthesis |
| CAS | 6635-20-7 |
| EINECS | 229-633-2 |
| InChI | InChI=1/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3 |
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde - Physico-chemical Properties
| Molecular Formula | C8H7NO5 |
| Molar Mass | 197.14 |
| Density | 1.5023 (rough estimate) |
| Melting Point | 172-175 °C (lit.) |
| Boling Point | 334.23°C (rough estimate) |
| Flash Point | 97℃ |
| Water Solubility | 700mg/L at 23℃ |
| Solubility | 2.1g/L in organic solvents at 20 ℃ |
| Vapor Presure | 0.001Pa at 25℃ |
| Appearance | Yellow powder |
| Color | Yellow to Brown to Dark green |
| BRN | 1973746 |
| pKa | 4.97±0.38(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | 1.5700 (estimate) |
| MDL | MFCD00007118 |
| Physical and Chemical Properties | Yellow powder. Melting point 177-179 °c. |
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29130000 |
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde - Reference Information
| LogP | 0.301 at 23℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation | in a ML round bottom flask was added 15. 2g (100mmol) vanillin, 90% ml of the volume fraction of 50.0 acetic acid, 400g (125 mmol) polyethylene glycol, under stirring conditions slowly dropped into 24. 32G (158 mmol) aqueous solution of Ceric Ammonium nitrate, reaction at 60 ° C. For 1.0 hours, followed by TLC, developing solvent: ethyl acetate: petroleum ether = 1 : 1, stirring was stopped when the reactants were completely converted to product; the reactant was poured into an appropriate amount of ice water, yellow solid was precipitated, and the solid was washed with distilled water for 2-3 times to obtain a crude product of 5-nitrovanillin; Weight: 13. 8G, yield: 70%. |
Last Update：2024-04-09 19:05:13
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