| Identification | More | [Name]
5-Nitrovanillin | [CAS]
6635-20-7 | [Synonyms]
3-METHOXY-4-HYDROXY-5-NITROBENZALDEHYDE
4-HYDROXY-3-METHOXY-5-NITROBENZALDEHYDE
4-HYDROXY-3-NITRO-5-METHOXYBENZALDEHYDE
4-HYDROXY-5-NITRO-3-ANISALDEHYDE
5-NITROVANILLIN
AKOS B029013
ASISCHEM R40895
AURORA 13227
3-Methoxy-4-Hydroxy-5-Nitro-Benzaldhyde
5-Nitrovaniline
5-Nitrovanilline
5-Nitrovanillin, 98+%
5-Nitrovanillin,97%
5-Nitro
5-Nitrovanilin
Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro- | [EINECS(EC#)]
229-633-2 | [Molecular Formula]
C8H7NO5 | [MDL Number]
MFCD00007118 | [Molecular Weight]
197.14 | [MOL File]
6635-20-7.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow-green fine crystalline powder | [Melting point ]
172-175 °C (lit.) | [Boiling point ]
334.23°C (rough estimate) | [density ]
1.5023 (rough estimate) | [vapor pressure ]
0.001Pa at 25℃ | [refractive index ]
1.5700 (estimate) | [Fp ]
97℃ | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
2.1g/L in organic solvents at 20 ℃ | [form ]
powder to crystal | [pka]
4.97±0.38(Predicted) | [color ]
Yellow to Brown to Dark green | [Water Solubility ]
700mg/L at 23℃ | [Sensitive ]
Air Sensitive | [BRN ]
1973746 | [LogP]
0.301 at 23℃ | [CAS DataBase Reference]
6635-20-7(CAS DataBase Reference) | [EPA Substance Registry System]
6635-20-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow-green fine crystalline powder | [Uses]
5-Nitrovanillin is a reagent used in the synthesis of feruloyl and caffeoyl which have antitumor properties. | [Definition]
ChEBI: A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group is substituted by a nitro group. | [Flammability and Explosibility]
Nonflammable | [Purification Methods]
It forms yellow plates from AcOH and needles from EtOH [Slotta & Szyszke Chem Ber 68 184 1935]. With diazomethane, 5-nitro-3,4-dimethoxyacetophenone is formed [Brady & Manjunath J Chem Soc 125 1067 1924]. The methyl ether crystallises from EtOAc or AcOH, m 88o, 90-91o, and the phenylhydrazone has m 108-110o (from aqueous EtOH). [Finger & Schott J Prakt Chem [2] 115 288 1927.] The oxime has m 216o (from EtOH or AcOH), and the oxime acetate has m 147o (from aqueous EtOH) [Vogel Monatsh Chem 20 384 1899, Brady & Dunn J Chem Soc 107 1861 1915]. [Beilstein 8 III 2064.] |
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