ChemicalBook > CAS DataBase List > 3-Fluoro-4-hydroxybenzonitrile

3-Fluoro-4-hydroxybenzonitrile

Uses

Product Name: 3-Fluoro-4-hydroxybenzonitrile
CAS No.: 405-04-9
Chemical Name: 3-Fluoro-4-hydroxybenzonitrile
Synonyms: 4-CYANO-2-FLUOROPHENOL;uoro-4-hydroxybenzonitriL;3-FLUORO-4-HYDROXYBENZONITRILE;3-FLUORO-4-HYDROXY-BENZONITRIL;3-Fluoro-6-hydroxybenzonitrile;Benzonitrile, 3-fluoro-4-hydroxy-;3-FLUORO-4-HYDROXYBENZONITRILE (4-CYANO-2-FLUOROPHENOL)
CBNumber: CB3242757
Molecular Formula: C7H4FNO
Formula Weight: 137.11
MOL File: 405-04-9.mol

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3-Fluoro-4-hydroxybenzonitrile Property

Melting point:: 133-135°C
Boiling point:: 253.9±25.0 °C(Predicted)
Density: 1.34±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 6.58±0.18(Predicted)
color: White to Almost white
InChI: InChI=1S/C7H4FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChIKey: DPSSSDFTLVUJDH-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(O)C(F)=C1
CAS DataBase Reference: 405-04-9(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39-37/39
RIDADR: 3439
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: CDS004642
Product name: 3-Fluoro-4-hydroxybenzonitrile
Purity: AldrichCPR
Packaging: 100mg
Price: $87.5
Updated: 2025/07/31

TCI Chemical

Product number: F0638
Product name: 3-Fluoro-4-hydroxybenzonitrile
Packaging: 5G
Price: $114
Updated: 2025/07/31

TCI Chemical

Product number: F0638
Product name: 3-Fluoro-4-hydroxybenzonitrile
Packaging: 25G
Price: $456
Updated: 2025/07/31

TRC

Product number: F596073
Product name: 3-Fluoro-4-hydroxybenzonitrile
Packaging: 500mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: PC9903
Product name: 3-Fluoro-4-hydroxybenzonitrile
Packaging: 5g
Price: $10
Updated: 2021/12/16

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3-Fluoro-4-hydroxybenzonitrile Chemical Properties,Usage,Production

Uses

3-Fluoro-4-hydroxybenzonitrile is an important organic intermediate, mainly used in the preparation of pharmaceuticals and pesticides, and has wide applications in the manufacture of dyes, engineering plastics and photosensitive materials.

Chemical Properties

Off-white Crysstalline

Synthesis

331-62-4

405-04-9

The general procedure for the synthesis of 3-fluoro-4-hydroxybenzonitrile using 3-fluoro-4-methoxybenzonitrile as starting material was as follows: to a solution of 3-fluoro-4-methoxybenzonitrile (15.6 g, 0.103 mol) in dichloromethane (100 mL) was slowly added boron tribromide (BBr3, 20 mL, 0.211 mol) at 0 °C. The reaction mixture was refluxed under nitrogen protection for 3 days. Upon completion of the reaction, the reaction was quenched with ice water and extracted with dichloromethane. The organic layers were combined, washed sequentially with water and saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 13.3 g of gray solid product in 94% yield. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.38-7.42 (m, 2H), 7.09 (dd, J = 8.8 Hz, 8.4 Hz, 1H), 5.68 (s, 1H).

References

[1] Patent: WO2013/97773, 2013, A1. Location in patent: Paragraph 0159; 0277
[2] Helvetica Chimica Acta, 1984, vol. 67, p. 1572 - 1579
[3] Patent: WO2005/123748, 2005, A1. Location in patent: Page/Page column 85-86
[4] Patent: WO2006/135316, 2006, A1. Location in patent: Page/Page column 59
[5] Patent: WO2006/137770, 2006, A1. Location in patent: Page/Page column 34

3-Fluoro-4-hydroxybenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Fluoro-4-hydroxybenzonitrile Suppliers

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View Lastest Price from 3-Fluoro-4-hydroxybenzonitrile manufacturers

Hebei Chuanghai Biotechnology Co., Ltd

Product: 3-Fluoro-4-hydroxybenzonitrile 405-04-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20 mt
Release date: 2024-11-18

Honest Joy Holdings Limited

Product: 3-Fluoro-4-hydroxybenzonitrile 405-04-9
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98.3%
Supply Ability: 100 tons
Release date: 2022-02-21

Career Henan Chemical Co

Product: 3-Fluoro-4-hydroxybenzonitrile 405-04-9
Price: US $1.00/g
Min. Order: 1g
Purity: 99%
Supply Ability: 10000kgs
Release date: 2020-01-09

405-04-9, 3-Fluoro-4-hydroxybenzonitrileRelated Search:

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405-04-9

Fluorine series

Aromatic Nitriles

Nitrile

Fluorine Compounds

Nitriles

Phenols