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405-04-9

3-Fluoro-4-hydroxybenzonitrile

CAS: 405-04-9

Molecular Formula: C7H4FNO

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405-04-9 - Names and Identifiers

Name 3-Fluoro-4-hydroxybenzonitrile
Synonyms 2-Fluoro-4-cyanophenol
4-CYANO-2-FLUOROPHENOL
uoro-4-hydroxybenzonitriL
3-Fluoro-4-hydroxybenzonitrile
3-FLUORO-4-HYDROXY-BENZONITRIL
3-Fluoro-6-hydroxybenzonitrile
3-FLUORO-4-HYDROXYBENZONITRILE
Benzonitrile, 3-fluoro-4-hydroxy-
3-FLUORO-4-HYDROXYBENZONITRILE (4-CYANO-2-FLUOROPHENOL)
CAS 405-04-9
InChI InChI=1/C7H4FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

405-04-9 - Physico-chemical Properties

Molecular FormulaC7H4FNO
Molar Mass137.11
Density1.34±0.1 g/cm3(Predicted)
Melting Point133-135°C
Boling Point253.9±25.0 °C(Predicted)
Flash Point107.4°C
Vapor Presure0.0111mmHg at 25°C
AppearanceWhite powder
pKa6.58±0.18(Predicted)
Storage ConditionInert atmosphere,Room Temperature
Refractive Index1.558
MDLMFCD00215834

405-04-9 - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
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.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S37/39 - Wear suitable gloves and eye/face protection
UN IDs3439
Hazard NoteIrritant
Hazard Class6.1
Packing GroupIII

405-04-9 - Reference Information

use 3-fluoro-4-hydroxybenzonitrile is an important organic intermediate, mainly used in the preparation of medicines and pesticides, and has a wide range of applications in the manufacturing process of dyes, engineering plastics and photosensitive materials.
preparation traditional methods for synthesizing substituted hydroxybenzonitrile include ammonia oxidation, phase transfer catalytic synthesis or ammonification of benzoic acid. These methods have the disadvantages of long reaction route, large pollution and low yield. For example, 3-fluoro-4-hydroxybenzoic acid is prepared by one-step ammoniation reaction to 3-fluoro-4-hydroxybenzonitrile; 3-fluoro-4-hydroxybenzene is prepared by ammonia oxidation; 3-fluoro-4-hydroxybenzaldehyde is prepared by the reaction of hydroxylamine hydrochloride, and it can also be prepared by 4-hydroxybenzonitrile as the starting material and fluoro reaction [1]. The preparation reaction formula of 3-fluoro-4-hydroxybenzonitrile is as follows: Figure 1 Preparation reaction formula of 3-fluoro-4-hydroxybenzonitrile
Last Update:2024-04-09 15:16:37
405-04-9
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