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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- CDS004642
- Product name
- 3-Fluoro-4-hydroxybenzonitrile
- Purity
- AldrichCPR
- Packaging
- 100mg
- Price
- $87.5
- Updated
- 2025/07/31
- Product number
- F0638
- Product name
- 3-Fluoro-4-hydroxybenzonitrile
- Packaging
- 5G
- Price
- $114
- Updated
- 2025/07/31
- Product number
- F0638
- Product name
- 3-Fluoro-4-hydroxybenzonitrile
- Packaging
- 25G
- Price
- $456
- Updated
- 2025/07/31
- Product number
- F596073
- Product name
- 3-Fluoro-4-hydroxybenzonitrile
- Packaging
- 500mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 021398
- Product name
- 3-Fluoro-4-hydroxybenzonitrile
- Purity
- 98%
- Packaging
- 25g
- Price
- $52
- Updated
- 2021/12/16
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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View Lastest Price from 3-Fluoro-4-hydroxybenzonitrile manufacturers
- 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
- 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
- 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