4-CYANO-3-FLUOROPHENYLBORONIC ACID
- Product Name
- 4-CYANO-3-FLUOROPHENYLBORONIC ACID
- CAS No.
- 843663-18-3
- Chemical Name
- 4-CYANO-3-FLUOROPHENYLBORONIC ACID
- Synonyms
- 4-CYANO-3-FLUOROBENZENEBORONIC ACID;4-Cyano-3-fL;CAS:843663-18-3;4-CYANO-3-FLUOROPHEN;4-CYANO-3-FLUOROPHENYLBORONIC;4-Borono-2-fluorobenzonitrile;4-CYANO-3-FLUOROPHENYLBORONIC ACID;3-Fluoro-4-cyanophenylboronic acid;Boronic acid, B-(4-cyano-3-fluorophenyl)-;oronicacid, (4-cyano-3-fluorophenyl)- (9CI)
- CBNumber
- CB0389796
- Molecular Formula
- C7H5BFNO2
- Formula Weight
- 164.93
- MOL File
- 843663-18-3.mol
4-CYANO-3-FLUOROPHENYLBORONIC ACID Property
- Melting point:
- 362-366
- Boiling point:
- 354.4±52.0 °C(Predicted)
- Density
- 1.35±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 6.30±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
- InChIKey
- DECWLXUOZUMPBF-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C#N)C(F)=C1)(O)O
- CAS DataBase Reference
- 843663-18-3(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 20/21/22-36/37/38-22
- Safety Statements
- 26-36/37/39-24/25
- RIDADR
- 3439
- Hazard Note
- Harmhul/Keep Cold
- HS Code
- 29319090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H301Toxic if swalloed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- CDS020115
- Product name
- 4-Cyano-3-fluorophenylboronic acid
- Purity
- AldrichCPR
- Packaging
- 100MG
- Price
- $73.1
- Updated
- 2025/07/31
- Product number
- C2456
- Product name
- 4-Cyano-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- Packaging
- 1g
- Price
- $37
- Updated
- 2025/07/31
- Product number
- C2456
- Product name
- 4-Cyano-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- Packaging
- 5g
- Price
- $123
- Updated
- 2025/07/31
- Product number
- C987578
- Product name
- 4-Cyano-3-fluorophenylboronicacid
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- CS-M1589
- Product name
- 4-Cyano-3-fluorophenylboronicacid
- Purity
- 99.98%
- Packaging
- 5g
- Price
- $67
- Updated
- 2021/12/16
4-CYANO-3-FLUOROPHENYLBORONIC ACID Chemical Properties,Usage,Production
Chemical Properties
White to light yellow solid
Synthesis
5419-55-6
105942-08-3
843663-18-3
The general procedure for the synthesis of 4-cyano-3-fluorophenylboronic acid from triisopropyl borate and 4-bromo-2-fluorobenzonitrile was as follows: 4-bromo-2-fluorobenzonitrile (200 g, 990 mmol, 1.00 eq.) and triisopropyl borate (228 g, 1188 mmol, 1.2 eq.) were dissolved in a mixture of 700 mL tetrahydrofuran (THF) and 1400 mL toluene solvent. The reaction mixture was cooled to an internal temperature of -75 °C using a dry ice/acetone bath. n-Butyl lithium (n-BuLi, 396 mL of a 2.5 M hexane solution) was added slowly over a period of 2 hours. After the addition was completed, the reaction mixture appeared as a light red slurry. The reaction solution was continued to be stirred at -74 °C for 15 min, followed by a slow warming to -20 °C and the reaction was burst with 1500 mL of 2.5 M hydrochloric acid (HCl) solution. The reaction mixture was allowed to gradually warm up to room temperature (RT). The organic and aqueous layers were separated and the aqueous layer was extracted with ethyl acetate (EtOAc). The organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give a light brown solid. The solid was ground with hexane and transferred to a sintered glass funnel. It was washed again with hexane to give a light yellow filtrate. The light brown solid was mixed with cold dichloromethane (CH2Cl2) and stirred and filtered. The solid was washed with a small amount of dichloromethane to give an off-white solid and a brown filtrate. The solid was dried in a vacuum oven at 40°C to give a final 112 g (679 mmol, 69% yield) of 3-fluoro-4-cyanophenylboronic acid as an off-white solid.
References
[1] Patent: WO2007/87488, 2007, A2. Location in patent: Page/Page column 17; 47-48
4-CYANO-3-FLUOROPHENYLBORONIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-CYANO-3-FLUOROPHENYLBORONIC ACID manufacturers
- Product
- (4-Cyano-3-fluorophenyl)boronic acid 843663-18-3
- Price
- US $3.00-9.00/KG
- Min. Order
- 0.1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2025-07-04
- Product
- 4-CYANO-3-FLUOROPHENYLBORONIC ACID 843663-18-3
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- 4-CYANO-3-FLUOROPHENYLBORONIC ACID 843663-18-3
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2019-12-31