4-Methyl-3-nitrobenzonitrile
- CAS No.
- 939-79-7
- Chemical Name:
- 4-Methyl-3-nitrobenzonitrile
- Synonyms
- 3-NITRO-P-TOLUNITRILE;4-Cyano-2-nitrotoluene;3-Niro-4-methylbenzonitrile;4-Methy-3-Nitro benzonitrile;4-METHYL-3-NITROBENZONITRILE;3-NITRO-4-METHYLBENZONITRILE;Benzonitrile, 4-methyl-3-nitro-;4-Methyl-3-nitrobenzonitrile>4-Methyl-3-nitrobenzonitrile,98%;3-Nitro-p-tolunitrile 4-Cyano-2-nitrotoluene
- CBNumber:
- CB5339190
- Molecular Formula:
- C8H6N2O2
- Molecular Weight:
- 162.15
- MDL Number:
- MFCD00031482
- MOL File:
- 939-79-7.mol
- MSDS File:
- SDS
| Melting point | 102-106 °C (lit.) |
|---|---|
| Boiling point | 171°C 12mm |
| Density | 1.26±0.1 g/cm3(Predicted) |
| Flash point | 171°C/12mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Chloroform, Ethyl Acetate |
| form | Crystalline Powder |
| color | White to yellow to pale brown |
| BRN | 2047311 |
| InChI | 1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3 |
| InChIKey | KOFBNBCOGKLUOM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1[N+]([O-])=O)C#N |
| CAS DataBase Reference | 939-79-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704 |
|
4-Methyl-3-nitrobenzonitrile price More Price(58)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 510572 | 4-Methyl-3-nitrobenzonitrile 97% | 939-79-7 | 25g | $205 | 2023-06-20 | Buy |
| TCI Chemical | M1946 | 4-Methyl-3-nitrobenzonitrile >98.0%(GC) | 939-79-7 | 5g | $67 | 2026-04-30 | Buy |
| TCI Chemical | M1946 | 4-Methyl-3-nitrobenzonitrile >98.0%(GC) | 939-79-7 | 25g | $207 | 2026-04-30 | Buy |
| AstaTech | 26500 | 3-NITRO-P-TOLUNITRILE 97% | 939-79-7 | 25G | $40 | 2026-04-30 | Buy |
| Biosynth | FM02115 | 4-Methyl-3-nitrobenzonitrile | 939-79-7 | 250g | $150 | 2026-06-04 | Buy |
4-Methyl-3-nitrobenzonitrile Chemical Properties, Uses, Production
Chemical Properties
white to light yellow crystal powder
Uses
2-Nitro-p-toluonitrile (cas# 939-79-7) is a compound useful in organic synthesis.
Uses
4-Methyl-3-nitrobenzonitrile may be used in the synthesis of (E)-1-(4-cyano-2-nitrophenyl)-2-(4-(4-cyanophenoxy)phenyl)ethene and (E)-1-(4-fluorophenyl)-2-(4-cyano-2-nitrophenyl)ethene.
Synthesis
104-85-8
939-79-7
A. Synthesis of 4-methyl-3-nitrobenzonitrile. Nitric acid (20 mL) was slowly added dropwise to a mixture of 4-methylbenzonitrile (11 g, 0.098 mol) with concentrated sulfuric acid (20 mL) over a period of 1 hour at 0°C. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0°C for 1 hour. Subsequently, the reaction mixture was carefully poured into crushed ice to quench the reaction. The precipitate precipitated was collected by filtration to afford 4-methyl-3-nitrobenzonitrile (15.2 g, 95% yield) as a white solid. The product was characterized by 1H NMR (500 MHz, CDCl3): δ 8.27 (d, J = 1.6 Hz, 1H), 7.78 (dd, J = 8.0,1.7 Hz, 1H), 7.51 (d, J = 8.0 Hz, 1H), 2.69 (s, 3H).
References
[1] Patent: US2005/38032, 2005, A1. Location in patent: Page/Page column 29
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 8, p. 1203 - 1208
[3] Journal of the Chemical Society, 1924, vol. 125, p. 2288
[4] Journal of the American Chemical Society, 1925, vol. 47, p. 1394
[5] Chemische Berichte, 1918, vol. 51, p. 561
4-Methyl-3-nitrobenzonitrile Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
4-Methyl-3-nitrobenzonitrile Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TAIYUAN RHF CO.,LTD. | +86 351 7031519 | sales@RHFChem.com | China | 2334 | 56 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| ShangHai DEMO Chemical Co.,Ltd | 400-021-7337 2355568890 | sales@demochem.com | China | 2569 | 57 |
| 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 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
View Latest Price from 4-Methyl-3-nitrobenzonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-02 | 4-Methyl-3-nitrobenzonitrile
939-79-7
|
$1.00-100.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2022-02-22 | 4-Methyl-3-nitrobenzonitrile
939-79-7
|
1KG | 98.4% | 100 tons | Honest Joy Holdings Limited | ||
 |
2020-02-26 | 4-Methyl-3-nitrobenzonitrile
939-79-7
|
1KG | 99.0%+ | 100 tons | Shaanxi Dideu Medichem Co. Ltd |
-
- 4-Methyl-3-nitrobenzonitrile
939-79-7
- $1.00-100.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- 4-Methyl-3-nitrobenzonitrile
939-79-7
- $0.00
- 98.4%
- Honest Joy Holdings Limited
-
- 4-Methyl-3-nitrobenzonitrile
939-79-7
- 99.0%+
- Shaanxi Dideu Medichem Co. Ltd
