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219873-06-0

219873-06-0 Structure

219873-06-0 Structure
IdentificationBack Directory
[Name]

4-Cyano-2-fluorobenzyl alcohol
[CAS]

219873-06-0
[Synonyms]

4-Cyano-2-fluorobenzyl alcohol
3-Fluoro-4-(hydroxymethyl)benzonitrile
Benzonitrile, 3-fluoro-4-(hydroxymethyl)-
3-Fluoro-4-(hydroxymethyl)benzonitrile 97%
3-Fluoro-4-(hydroxymethyl)benzonitrile99+%
Benzonitrile, 3-fluoro-4-(hydroxymethyl)- (9CI)
4-Cyano-2-fluorobenzyl alcohol ISO 9001:2015 REACH
3-Fluoro-4-(hydroxyMethyl)-benzonitrile[4-cyano--2-fluorobenzyl alcohol
[Molecular Formula]

C8H6FNO
[MDL Number]

MFCD09037779
[MOL File]

219873-06-0.mol
[Molecular Weight]

151.14
Chemical PropertiesBack Directory
[Melting point ]

63-68°C
[Boiling point ]

288.8±30.0 °C(Predicted)
[density ]

1.27 g/mL at 25 °C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

crystalline powder
[pka]

13.51±0.10(Predicted)
[color ]

Faint/pale lemon/gold
[InChI]

InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
[InChIKey]

YGAURRAHPYQHDC-UHFFFAOYSA-N
[SMILES]

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

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[WGK Germany ]

1
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Uses]

4-Cyano-2-fluorobenzyl alcohol is an essential drug intermediate and is widely applied to the synthesis of various drugs. For example: S1P1 Receptor agonists, drugs for treating Alzheimer's disease BMS708163, amides for treating arrhythmia, etc.
[Synthesis]

4-Cyano-2-fluorobenzyl alcohol, also known as 3-fluoro-4-hydroxymethylbenzonitrile, can be obtained by the reaction of 2-fluoro-4-bromobenzyl alcohol with zinc cyanide or by reduction of 4-cyano-2-fluorobenzoic acid methyl ester.

To a solution o

Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyano-2-fluorobenzyl alcohol(219873-06-0)1HNMR
4-Cyano-2-fluorobenzyl alcohol(219873-06-0)FT-IR
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