5-Fluoro-2-methylbenzonitrile
Uses- Product Name
- 5-Fluoro-2-methylbenzonitrile
- CAS No.
- 77532-79-7
- Chemical Name
- 5-Fluoro-2-methylbenzonitrile
- Synonyms
- 5-Fluoro-2-methylben;5-FLUORO-O-TOLUNITRILE;2-cyano-4-fluorotoluene;Methyl-5-fluorobenzonitrile;5-FLUORO-2-METHYLBENZONITRILE;2-methyl-5-fluorobenzonitrile;5-Fluoro-o-tolunitrile (CN=1);5-Fluoro-2-methylbenzonitrile>Benzonitrile, 5-fluoro-2-methyl-;5-Fluoro-2-methylbenzonitrile 98%
- CBNumber
- CB7286391
- Molecular Formula
- C8H6FN
- Formula Weight
- 135.14
- MOL File
- 77532-79-7.mol
5-Fluoro-2-methylbenzonitrile Property
- Melting point:
- 43-45 °C (lit.)
- Boiling point:
- 230°C (rough estimate)
- Density
- 1.1203 (estimate)
- Flash point:
- 175 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- BRN
- 7700578
- InChI
- InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
- InChIKey
- IBRODYNXELBTJC-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(F)=CC=C1C
- CAS DataBase Reference
- 77532-79-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 5-Fluoro-2-methylbenzonitrile(77532-79-7)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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.
N-Bromosuccinimide Price
- Product number
- 364916
- Product name
- 5-Fluoro-2-methylbenzonitrile
- Purity
- 98%
- Packaging
- 5g
- Price
- $31.4
- Updated
- 2023/06/20
- Product number
- F0747
- Product name
- 5-Fluoro-2-methylbenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $110
- Updated
- 2025/07/31
- Product number
- F0747
- Product name
- 5-Fluoro-2-methylbenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $104
- Updated
- 2023/06/20
- Product number
- F596643
- Product name
- 5-Fluoro-2-methylbenzonitrile
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- F596643
- Product name
- 5-Fluoro-2-methylbenzonitrile
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
5-Fluoro-2-methylbenzonitrile Chemical Properties,Usage,Production
Uses
5-Fluoro-2-methylbenzonitrile is a yellow, low-melting-point solid that can be used as an intermediate in organic and pharmaceutical synthesis.
Chemical Properties
yellow low melting solid
General Description
5-Fluoro-2-methylbenzonitrile is an aryl fluorinated building block.
Synthesis
953422-44-1
77532-79-7
The general procedure for the synthesis of 5-fluoro-2-methylbenzonitrile from the compound (CAS: 953422-44-1) was as follows: aldoxime (1 mmol) and imidazole (3 mmol) were dissolved in anhydrous dichloromethane (10-15 mL) under nitrogen protection, added to a pre-oven-dried round-bottomed flask, and the reaction mixture was stirred at room temperature.After 20 min, the reaction mixture was stirred via syringe under After 20 min, trifluoromethanesulfonic anhydride (0.4-1.0 mmol) was slowly added dropwise via syringe under nitrogen protection and the reaction mixture was continued to be stirred at room temperature for a specific time (see Table 1). The reaction process was monitored by thin layer chromatography (TLC) and/or gas chromatography-mass spectrometry (GC-MS). Upon completion of the reaction, the reaction was quenched with dilute sodium bicarbonate (NaHCO3) solution and the product was extracted with dichloromethane. The solvent was removed by concentration under reduced pressure to give the crude product, which was subsequently purified by preparative thin-layer chromatography (TLC) using a solvent mixture of ethyl acetate-hexane (80:20) to give the target nitrile analogs in 61-88% yield. The structure of the products was confirmed by melting point (mp) or boiling point (bp), TLC, infrared spectroscopy (IR), GC-MS, 1H nuclear magnetic resonance (NMR), and 13C NMR data in comparison with authentic samples commercially purchased or prepared by literature methods.
References
[1] Tetrahedron Letters, 2011, vol. 52, # 40, p. 5184 - 5187
5-Fluoro-2-methylbenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 5-Fluoro-2-methylbenzonitrile manufacturers
- Product
- 5-Fluoro-2-methylbenzonitrile 77532-79-7
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-10-18
- Product
- 5-Fluoro-2-methylbenzonitrile 77532-79-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%HPLC
- Supply Ability
- 10 tons/month
- Release date
- 2020-01-07