219873-06-0

219873-06-0 - Names and Identifiers

Name	4-Cyano-2-fluorobenzyl alcohol
Synonyms	4-Cyano-2-fluorobenzyl alcohol 3-Fluoro-4-(hydroxymethyl)benzonitrile Benzonitrile, 3-fluoro-4-(hydroxymethyl)- Benzonitrile, 3-fluoro-4-(hydroxymethyl)- (9CI) 3-Fluoro-4-(hydroxyMethyl)-benzonitrile[4-cyano--2-fluorobenzyl alcohol
CAS	219873-06-0
InChI	InChI=1/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2

219873-06-0 - Physico-chemical Properties

Molecular Formula	C8H6FNO
Molar Mass	151.14
Density	1.27 g/mL at 25 °C
Melting Point	63-68°C
Boling Point	288.8±30.0 °C(Predicted)
Flash Point	128.5°C
Vapor Presure	0.00106mmHg at 25°C
pKa	13.51±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.546

219873-06-0 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	41 - Risk of serious damage to eyes
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection.
WGK Germany	1

219873-06-0 - Reference Information

Uses

4-cyano-2-fluorobenzyl alcohol is an alcohol organic substance and can be used as an intermediate in organic synthesis.

Preparation

4-cyano-2-fluorobenzyl alcohol is also called 3-fluoro-4-hydroxymethylbenzonitrile, which can be obtained by reacting 2-fluoro-4 bromobenzyl methanol with zinc cyanide or by reducing methyl 4-cyano-2-fluorobenzoic acid ester. Zinc cyanide (1.85g,15.85mmol) and tetrakis (triphenylphosphine) palladium (Pd(PPh3)4.0.916g,0.79mmol) are added to DMF(35mL) solution of 2-fluoro -4 bromobenzyl methanol (3.25g,15.85mmol), deoxidized with argon, heated at 100 degrees for 16 hours, cooled to room temperature, and diluted with ethyl acetate (100mL), after washing with water (100mL × 3) and saturated brine (100mL × 3), drying with anhydrous sodium sulfate, filtering, concentrating to obtain crude product, and then purifying by column chromatography (petroleum ether ~ ethyl acetate = 15/1~4/1 system elution) to obtain white solid product (0.72g, yield 30%).

Last Update：2024-04-09 15:16:48