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4-Fluoro-3-cyanobenzaldehyde

2-Fluoro-5-formylbenzonitrile

CAS: 218301-22-5

Molecular Formula: C8H4FNO

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4-Fluoro-3-cyanobenzaldehyde - Names and Identifiers

Name 2-Fluoro-5-formylbenzonitrile
Synonyms CYANOFLUOROBENZALDEHYDE-3-4
3-Cyano-4-fluorobenzaldehyde
4-Fluoro-3-cyanobenzaldehyde
2-Fluor-5-formylbenzonitrile
2-Fluoro-5-formylbenzonitrile
3-cyano-4-flluorobenzaldehyde
2-Fluoro-5-Formyl-benzonitrile
Benzonitrile, 2-fluoro-5-formyl-
6002 2-FLUORO-5-FORMYL BENZONITRILE
10014 2-FLUORO-5-FORMYL BENZONITRILE
CAS 218301-22-5
InChI InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChIKey MOFRJTLODZILCR-UHFFFAOYSA-N

4-Fluoro-3-cyanobenzaldehyde - Physico-chemical Properties

Molecular FormulaC8H4FNO
Molar Mass149.12
Density1.25±0.1 g/cm3(Predicted)
Melting Point80-84 °C (lit.)
Boling Point215.6±20.0 °C(Predicted)
Solubility Chloroform, Methanol
AppearanceWhite to yellow powder
ColorWhite
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
MDLMFCD01863558
UseA raw material for the synthesis of 3-cyano-4-fluorobenzyl bromide in large quantities.

4-Fluoro-3-cyanobenzaldehyde - Risk and Safety

Hazard SymbolsXn - Harmful
Harmful
Risk CodesR20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
WGK Germany3
HS Code29269090
Hazard NoteHarmful
Hazard ClassIRRITANT

4-Fluoro-3-cyanobenzaldehyde - Reference Information

introduction 2-fluoro-5-formylbenzonitrile is a nitrile derivative used to prepare heterocyclic compounds as a medicinal PARP inhibitor.
Application 2-fluoro-5-formylbenzonitrile is a pharmaceutical intermediate that can be used to prepare olapani intermediate 2-fluoro-5-[(4-oxo-3, 4-dihydrodiazaphthalene-1-yl) methyl] benzoic acid. 2-Fluoro-5-formylbenzonitrile can be obtained by heating and reacting 3-bromo-4-fluoro-benzaldehyde with cuprous cyanide.
preparation 3-bromo -4-fluorine-benzaldehyde (100g,0.49mol) was placed in a 1L round bottom flask, dissolved with 400 ml of NMP, then cuprous cyanide (50.6g,0.56mol) was added, and the reactant was heated to 170 ℃ and stirred overnight. After cooling to room temperature, add appropriate amount of diatomite, stir and filter. The filtrate is dissolved in 400 ml of water and 500 ml of ethyl acetate. The organic phase is washed twice and then dried with anhydrous sodium sulfate, filtered and distilled out of the solvent. The residue was recrystallized with a mixed solvent of petroleum ether and ethyl acetate to obtain 55.95g of light yellow solid. Yield: 76.1%. MS(ESI):150(M 1,100%).
Use Raw material for large-scale synthesis of 3-cyano-4-fluorobenzyl bromide.
Last Update：2024-04-09 20:45:29
4-Fluoro-3-cyanobenzaldehyde
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View History
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