4-CHLORO-2-METHYLBENZONITRILE
- CAS No.
- 50712-68-0
- Chemical Name:
- 4-CHLORO-2-METHYLBENZONITRILE
- Synonyms
- 4-CHLORO-2-METHYLBEN;2-Cyano-5-chlorotoluene;Chloro-2-methylbenzonitrile;2-METHYL-4-CHLOROBENZONITRILE;4-CHLORO-2-METHYLBENZONITRILE;Benzonitrile, 4-chloro-2-methyl-;4-Chloro-2-methylbenzonitrile 97%;4-chloro-2-methyl-benzenecarbonitrile
- CBNumber:
- CB3347342
- Molecular Formula:
- C8H6ClN
- Molecular Weight:
- 151.59
- MDL Number:
- MFCD00045603
- MOL File:
- 50712-68-0.mol
- MSDS File:
- SDS
| Melting point | 57-61 °C (lit.) |
|---|---|
| Boiling point | 85-86°C/3mm |
| Density | 1.19±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder |
| color | beige crystilline |
| InChI | InChI=1S/C8H6ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3 |
| InChIKey | ZZAJFWXXFZTTLH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Cl)C=C1C |
| CAS DataBase Reference | 50712-68-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H312-H315-H319-H331-H335 | |||||||||
| Precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | IRRITANT-HARMFUL | |||||||||
| HazardClass | 6.1 | |||||||||
| HS Code | 2926907090 | |||||||||
| NFPA 704 |
|
4-CHLORO-2-METHYLBENZONITRILE price More Price(34)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 594547 | 4-Chloro-2-methylbenzonitrile 97% | 50712-68-0 | 5g | $37.8 | 2023-06-20 | Buy |
| TRC | C587603 | 4-Chloro-2-methylbenzonitrile | 50712-68-0 | 250mg | $55 | 2021-12-16 | Buy |
| TRC | C587603 | 4-Chloro-2-methylbenzonitrile | 50712-68-0 | 1g | $75 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FC55106 | 5-Chloro-2-cyanotoluene | 50712-68-0 | 10g | $100.6 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FC55106 | 5-Chloro-2-cyanotoluene | 50712-68-0 | 100g | $529 | 2021-12-16 | Buy |
4-CHLORO-2-METHYLBENZONITRILE Chemical Properties,Uses,Production
Chemical Properties
off-white crystalline
Synthesis
617-90-3
25961-46-0
1117842-29-1
50712-68-0
The general procedure for the synthesis of compounds (CAS:1117842-29-1) and 4-chloro-2-methylbenzonitrile from 2-cyanofuran and compounds (CAS:25961-46-0) was as follows: crude oxathiazolone compound (2.0 g, 8.8 mmol) was mixed with 2-furanonitrile (16 g, 170 mmol) in a microwave reactor under 190°C for 20 min. This reaction was repeated for 10 batches, and the reaction solution was combined and subjected to Kugelrohr distillation at 100 °C, 30 mbar to recover excess 2-furanonitrile (for use in the next microwave reaction). Subsequently, the residue was further distilled at 150 °C, 20 mbar to remove the nitrile by-products. 5.5 g of the residue was combined with 4.5 g of the residue obtained from another 10 microwave reactions and purified by column chromatography. The 4.5 g of product obtained (HPLC purity 85%) was dissolved in methanol (50 mL) and recrystallized to give pure 3-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2,4-thiadiazole as a light brown solid in 3.6 g yield (7.5% yield). Chemical formula: C13H9ClN2OS; Molecular weight: 278.7; HPLC-ESMS: retention time tR = 6.36 min, m/z 277.0 (M + 1); HPLC purity: > 95% (220 nm), 95% (270 nm). 1H-NMR (300 MHz, CDCl3): δ 8.06 (dd, J = 7.8 Hz, 1H), 7.62-7.63 (m, 1H), 7.22-7.31 (m, 3H), 6.61-6.63 (m, 1H), 2.66 (s, 3H).
References
[1] Patent: US2009/48311, 2009, A1. Location in patent: Page/Page column 42
4-CHLORO-2-METHYLBENZONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hebei Chuanghai Biotechnology Co., Ltd | +8617732866630 | abby@chuanghaibio.com | China | 8773 | 58 |
| Capot Chemical Co.,Ltd. | +8613336195806 | sales@capot.com | China | 29733 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 12932 | 58 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| Changzhou Ansciep Chemical Co., Ltd. | +86 519 86305871 | sales@ansciepchem.com | CHINA | 4241 | 58 |
| Nanjing Dolon Biotechnology Co.,Ltd. | 18905173768 | 52513593@qq.com | CHINA | 2972 | 58 |
| Changzhou Ditong Chemical Co.,Ltd | +86-0519-88299272 | info@edengenechem.com | China | 2176 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49732 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | factory@coreychem.com | China | 29801 | 58 |
View Lastest Price from 4-CHLORO-2-METHYLBENZONITRILE manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-06-24 | 4-CHLORO-2-METHYLBENZONITRILE
50712-68-0
|
US $0.00-0.00 / KG | 1KG | 99% | 20 mt | Hebei Chuanghai Biotechnology Co., Ltd | |
 |
2020-01-10 | 4-CHLORO-2-METHYLBENZONITRILE
50712-68-0
|
US $1.00 / g | 1g | 99% | 10000KGS | Career Henan Chemical Co |
-
- 4-CHLORO-2-METHYLBENZONITRILE
50712-68-0
- US $0.00-0.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
-
- 4-CHLORO-2-METHYLBENZONITRILE
50712-68-0
- US $1.00 / g
- 99%
- Career Henan Chemical Co
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