2-chloro-4-fluoro-3-methylbenzonitrile
- CAS No.
- 796600-15-2
- Chemical Name:
- 2-chloro-4-fluoro-3-methylbenzonitrile
- Synonyms
- 2-Chlor-4-fluor-3-methylbenzonitril;2-chloro-3-methyl-4-fluorobenzonitrile;2-chloro-4-fluoro-3-methylbenzonitrile;Benzonitrile, 2-chloro-4-fluoro-3-methyl-
- CBNumber:
- CB62473343
- Molecular Formula:
- C8H5ClFN
- Molecular Weight:
- 169.58
- MDL Number:
- MFCD13193544
- MOL File:
- 796600-15-2.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 2-Chloro-4-fluoro-3-methylbenzonitrile | C367315 | 500mg | $80 |
| 2-Chloro-4-fluoro-3-methylbenzonitrile | C367315 | 1g | $130 |
| 2-chloro-4-fluoro-3-methylbenzonitrile | FC104829 | 5G | $90 |
| 2-Chloro-4-fluoro-3-methylbenzonitrile 95% | 073789 | 1g | $48 |
| 2-chloro-4-fluoro-3-methylbenzonitrile | FC104829 | 10g | $150 |
| More product size | |||
| Melting point | 54-58°C |
|---|---|
| Boiling point | 260.8±35.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White |
| InChI | InChI=1S/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3 |
| InChIKey | IOKBJSAKTZEMBR-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(F)C(C)=C1Cl |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS05 |
|---|---|
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280-P305+P351+P338-P310 |
| HS Code | 2926907090 |
2-chloro-4-fluoro-3-methylbenzonitrile price More Price(27)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | C367315 | 2-Chloro-4-fluoro-3-methylbenzonitrile | 796600-15-2 | 500mg | $80 | 2021-12-16 | Buy |
| TRC | C367315 | 2-Chloro-4-fluoro-3-methylbenzonitrile | 796600-15-2 | 1g | $130 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FC104829 | 2-chloro-4-fluoro-3-methylbenzonitrile | 796600-15-2 | 5G | $90 | 2021-12-16 | Buy |
| Matrix Scientific | 073789 | 2-Chloro-4-fluoro-3-methylbenzonitrile 95% | 796600-15-2 | 1g | $48 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FC104829 | 2-chloro-4-fluoro-3-methylbenzonitrile | 796600-15-2 | 10g | $150 | 2021-12-16 | Buy |
2-chloro-4-fluoro-3-methylbenzonitrile Chemical Properties,Uses,Production
Uses
2-Chloro-4-fluoro-3-methylbenzonitrile is a reagent used in the synthesis of a novel and potent nonsteroidal androgen receptor modulator (SARM) with partial agonist activity relative to the natural androgen testosterone.
Synthesis
60702-69-4
74-88-4
796600-15-2
General procedure for the synthesis of 2-chloro-3-methyl-4-fluorobenzonitrile from 2-chloro-4-fluorobenzonitrile and iodomethane: First, a tetrahydrofuran (THF, 1 L) solution of diisopropylamine (80.6 mL, 0.575 mol) was cooled down to about -5 °C in an ice water/methanol bath. Subsequently, n-butyllithium (2.5 M hexane solution, 212 mL, 0.530 mol) was slowly added over a period of 1 h using a syringe pump (4 mL/min) while maintaining the reaction temperature between -5 and 0°C. The lithium diisopropylammonium (LDA) solution was stirred at 0 °C for 1 h and then transferred to a THF (1 L) solution of 2-chloro-4-fluorobenzonitrile (68.7 g, 0.442 mol) pre-cooled to -78 °C via cannulae over a 1 h period. The temperature of the reaction mixture may rise to about -65 °C during the initial addition of the LDA solution, but the internal temperature needs to be ensured to be below -70 °C during the remaining LDA addition. The temperature of the resulting dark red-orange reaction mixture was maintained below -70 °C for 5 h. Iodomethane (251.2 g, 1.77 mol) was then added at a rate of about 3 mL/min, with the rate of addition being controlled to maintain the reaction temperature below -65 °C. Afterwards, the reaction mixture was allowed to slowly warm up overnight. After stirring for 14 hours, the temperature of the reaction mixture reached -5 °C. The reaction was quenched with saturated aqueous ammonium chloride solution (500 mL) and water (750 mL) and diluted with ether (~2 L). Separate the organic and aqueous layers and the aqueous layer was then extracted with ether (about 1 L). The organic layers were combined (ca. 5.5 L), dried with anhydrous magnesium sulfate, filtered and concentrated to give the crude product 2-chloro-3-methyl-4-fluorobenzonitrile as a reddish brown oily solid (ca. 86.7 g). The crude product was purified by silica gel column chromatography (silica gel column size: 10×30 cm, eluent gradient: 99:1 to 93:7 hexane/ethyl acetate) to afford the pure product 2-chloro-3-methyl-4-fluorobenzonitrile (56.7 g, 76% yield) as a white solid with a melting point of 63-65 ° C; 1H NMR (300 MHz, CDCl3): δ 7.54 (dd. J = 8.6, 5.6 Hz, 1H), 7.08 (dd, J = 8.6, 8.6 Hz, 1H), 2.36 (d, J = 2.4 Hz, 3H).
References
[1] Patent: WO2006/124447, 2006, A2. Location in patent: Page/Page column 45-46
[2] Patent: WO2013/55577, 2013, A1. Location in patent: Page/Page column 24-25
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 2, p. 750 - 755
[4] Patent: WO2004/99144, 2004, A1. Location in patent: Page 25
2-chloro-4-fluoro-3-methylbenzonitrile Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| qingdao future trading Co., Ltd | +86-13335044410 | cui56813@163.com | China | 110 | 58 |
| Anhui Zhongda Biotechnology Co., Ltd | +8615689548120 | linda@zhongda-biotech.com | China | 193 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20124 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29640 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 13815 | 58 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29820 | 58 |
| Changzhou Ansciep Chemical Co., Ltd. | +86 519 86305871 | sales@ansciepchem.com | CHINA | 4241 | 58 |
| Wuhan Pengo Technology.,Ltd. | +86-27-81330736 +86-13628634921 | sunny.w@boronicgroup.com | CHINA | 171 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
View Lastest Price from 2-chloro-4-fluoro-3-methylbenzonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2025-09-25 | 2-Chlor-4-fluor-3-methylbenzonitril
796600-15-2
|
US $200.00-1.00 / KG | 1KG | 99%, 99.5% Sublimated | g-kg-tons, free sample is available | Henan Fengda Chemical Co., Ltd | |
 |
2024-10-23 | 2-chloro-4-fluoro-3-methylbenzonitrile
796600-15-2
|
US $21.00-429.00 / g | 1g | 99% | 100kg | Wuhan Cell Pharmaceutical Co., Ltd | |
 |
2023-11-09 | 2-Chloro-4-fluoro-3-methylbenzonitrile
796600-15-2
|
US $100.00 / g | 1g | 98% | 10tons | qingdao future trading Co., Ltd |
-
- 2-Chlor-4-fluor-3-methylbenzonitril
796600-15-2
- US $200.00-1.00 / KG
- 99%, 99.5% Sublimated
- Henan Fengda Chemical Co., Ltd
-
- 2-chloro-4-fluoro-3-methylbenzonitrile
796600-15-2
- US $21.00-429.00 / g
- 99%
- Wuhan Cell Pharmaceutical Co., Ltd
-
- 2-Chloro-4-fluoro-3-methylbenzonitrile
796600-15-2
- US $100.00 / g
- 98%
- qingdao future trading Co., Ltd
