126162-38-7

126162-38-7 - Names and Identifiers

Name	2,3-Difluoro-4-hydroxybenzonitrile
Synonyms	2,3-Difluoro-4-hydro 4-CYANO-2,3-DIFLUOROPHENOL 2,3-Difluoro-4-Cyanophenol 2,3-DIFLUORO-4-HYDROXYBENZONITRILE 2,3-Difluoro-4-hydroxybenzonitrile Benzonitrile,2,3-difluoro-4-hydroxy- Benzonitrile, 2,3-difluoro-4-hydroxy- (9CI)
CAS	126162-38-7

126162-38-7 - Physico-chemical Properties

Molecular Formula	C7H3F2NO
Molar Mass	155.1
Density	1.44±0.1 g/cm3(Predicted)
Melting Point	145-147
Boling Point	260.8±40.0 °C(Predicted)
Appearance	White to pink powder
pKa	5.60±0.23(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
MDL	MFCD00269596

126162-38-7 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	3439
Hazard Class	IRRITANT

126162-38-7 - Reference Information

Application

2, 3-difluoro-4-cyanophenol can be used as an intermediate in pharmaceutical synthesis, and 2, 3-difluorophenyl can be used as a reaction The raw material reacts with N-formaldehyde piperidine to prepare the intermediate 4-ethoxy-2, 3-difluorobenzaldehyde, further react with hydroxylamine-O-sulfonic acid to prepare the intermediate 4-ethoxy-2, 3-difluorobenzonitrile, and then react with aluminum chloride to prepare.

preparation

a)4-ethoxy -2,3-difluorobenzaldehyde -78 ℃ to 400ml of tetrahydrofuran solution 125ml,0.2mol of n-butyllihexane solution, 0.2mol of 2, 3-difluorophenyl, 0.2mol of tetramethylenediamine, stirring the mixture at 70 ℃ and keeping at -60 ℃ for 2 hours, A mixture of 0.2mol of N-formaldehyde piperidine and 20ml of tetrahydrofuran was added dropwise to the mixture, warmed to -20°C and treated routinely to obtain 4-ethoxy-2, 3-difluorobenzaldehyde, a colorless solid, mp70 °C. B) A mixture of 0.12mol hydroxylamine-O-sulfonic acid and 50ml of water was added to a mixture of 0.1 mol-4-ethoxy-2, 3-difluorobenzaldehyde and 100ml of water at 30°C, and the mixture was stirred for 1 hour. After heating at 65°C for 2 hours and conventional treatment, a colorless solid 4-ethoxy-2, 3-difluorobenzonitrile, mp45 °C was obtained. c) 2,3-difluoro-4-cyanophenol A mixture of 0.1 moles of 4-ethoxy-2, 3-difluorobenzonitrile, 0.12 moles of aluminum chloride and 150ml of toluene is heated at the boiling point for 2 hours, and 2, 3-difluoro-4-cyanophenol is obtained by conventional treatment, which is a colorless solid, mp145 ℃.

Last Update：2024-04-09 15:16:47