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
- Molecular Weight:
- 135.14
- MDL Number:
- MFCD00042295
- MOL File:
- 77532-79-7.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H318-H335 | |||||||||
| Precautionary statements | P261-P280-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi,T | |||||||||
| Risk Statements | 37/38-41 | |||||||||
| Safety Statements | 26-39 | |||||||||
| RIDADR | 3276 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Toxic | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
5-Fluoro-2-methylbenzonitrile price More Price(72)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 364916 | 5-Fluoro-2-methylbenzonitrile 98% | 77532-79-7 | 5g | $31.4 | 2023-06-20 | Buy |
| TCI Chemical | F0747 | 5-Fluoro-2-methylbenzonitrile >98.0%(GC) | 77532-79-7 | 5g | $279 | 2026-04-30 | Buy |
| TCI Chemical | F0747 | 5-Fluoro-2-methylbenzonitrile >98.0%(GC) | 77532-79-7 | 25g | $104 | 2023-06-20 | Buy |
| Usbiological | 270246 | 2-Cyano-4-fluorotoluene Asreported | 77532-79-7 | 25g | $333 | 2026-06-03 | Buy |
| Usbiological | 270246 | 2-Cyano-4-fluorotoluene Asreported | 77532-79-7 | 50g | $502 | 2026-06-03 | Buy |
5-Fluoro-2-methylbenzonitrile Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Dongyang Qiusuo Medical Technology Co., LTD | 17502510579 | 2785299132@qq.com | China | 1557 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shijiazhuang Sdyano Fine Chemical Co., Ltd. | 0311-89250318 13582355795 | master@sjzsdyn.com | China | 2776 | 65 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
View Lastest Price from 5-Fluoro-2-methylbenzonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-04-04 | 5-Fluoro-2-methylbenzonitrile
77532-79-7
|
1KG | 98% | 1ton | Henan Aochuang Chemical Co.,Ltd. | ||
 |
2020-01-08 | 5-Fluoro-2-methylbenzonitrile
77532-79-7
|
$1.00 | 1KG | 98%HPLC | 10 tons/month | Career Henan Chemical Co |
-
- 5-Fluoro-2-methylbenzonitrile
77532-79-7
- 98%
- Henan Aochuang Chemical Co.,Ltd.
-
- 5-Fluoro-2-methylbenzonitrile
77532-79-7
- $1.00
- 98%HPLC
- Career Henan Chemical Co
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