4-Methyl-3-nitrobenzonitrile manufacturers
- 4-Methyl-3-nitrobenzonitrile
-
- $100.00 / 1KG
-
2025-09-25
- CAS:939-79-7
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
|
| | 4-Methyl-3-nitrobenzonitrile Basic information |
| | 4-Methyl-3-nitrobenzonitrile Chemical Properties |
| Melting point | 102-106 °C (lit.) | | Boiling point | 171°C 12mm | | density | 1.26±0.1 g/cm3(Predicted) | | Fp | 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) |
| 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 |
| | 4-Methyl-3-nitrobenzonitrile Usage And Synthesis |
| 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 | 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 |
|