5-Nitrovanillin Chemical Properties

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)

Flash point:

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

5-Nitrovanillin (6635-20-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-24/25

WGK Germany 

3

HS Code 

29130000

MSDS

• Language:English Provider:5-Nitrovanillin
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5-Nitrovanillin Usage And Synthesis

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

Non flammable

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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