ChemicalBook--->CAS DataBase List--->74901-29-4

74901-29-4

74901-29-4 Structure

74901-29-4 Structure
IdentificationBack Directory
[Name]

3-Formyl-4-hydroxybenzonitrile
[CAS]

74901-29-4
[Synonyms]

5-Cyanosalicylaldehyde
2-Hydroxy-5-cyanobenzaldehyde
3-Formyl-4-hydroxybenzonitril
3-Formyl-4-Hydroxy Benzonitrile
Benzonitrile, 3-formyl-4-hydroxy
C8H5NO23-Formyl-4-hydroxybenzonitrile
Benzonitrile, 3-formyl-4-hydroxy- (9CI)
5-Cyano-2-hydroxybenzaldehyde, 4-Cyano-2-hydroxyphenol
[Molecular Formula]

C8H5NO2
[MDL Number]

MFCD09839541
[MOL File]

74901-29-4.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Melting point ]

147 °C(Solv: methanol (67-56-1); water (7732-18-5))
[Boiling point ]

241.4±25.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

6.05±0.18(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H
[InChIKey]

PHIANFGZFLCRDV-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(O)C(C=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

3-Formyl-4-hydroxybenzonitrile(74901-29-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Cyano-2-methoxybenzaldehyde

21962-53-8

3-Formyl-4-hydroxybenzonitrile

74901-29-4

General procedure for the synthesis of 3-formyl-4-hydroxybenzonitrile from 5-cyano-2-methoxybenzaldehyde: B. Synthesis of 2-hydroxy-5-cyano benzaldehyde 31.08 g of 5-cyano-2-methoxybenzaldehyde obtained in the previous step and 24.52 g of lithium chloride were added to 500 mL of N,N-dimethylformamide. The reaction mixture was heated to reflux for 2 h. The solvent was subsequently removed by rotary evaporator. The residue was dissolved in aqueous acidic potassium sulfate solution and extracted with ethyl acetate. The organic phase was washed sequentially with water and saturated sodium chloride solution. After the above treatment, 24.5 g of the target product 2-hydroxy-5-cyanobenzaldehyde was obtained in 86% yield.

[References]

[1] Patent: US2004/10011, 2004, A1. Location in patent: Page/Page column 26
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