|
|
| | 2-Chloro-3-methyl-5-nitropyridine Basic information |
| | 2-Chloro-3-methyl-5-nitropyridine Chemical Properties |
| Melting point | 45-50 °C | | Boiling point | 145 °C / 18mmHg | | density | 1.5610 (rough estimate) | | refractive index | 1.5500 (estimate) | | Fp | >110°C | | storage temp. | 2-8°C | | solubility | soluble in Methanol | | form | Crystalline Powder | | pka | -3.61±0.10(Predicted) | | color | Light beige to cream | | Sensitive | Hygroscopic | | InChI | InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3 | | InChIKey | OSIOIGXJUZTWRI-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC=C([N+]([O-])=O)C=C1C | | CAS DataBase Reference | 22280-56-4(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 36/37/38-20/21/22-41-37/38-22 | | Safety Statements | 37/39-26-39 | | RIDADR | UN 2811 6.1 / PGIII | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29333999 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Provider | Language |
|
ACROS
| English |
| | 2-Chloro-3-methyl-5-nitropyridine Usage And Synthesis |
| Chemical Properties | Light beige to cream colored crystalline powder | | Uses | 2-Chloro-3-methyl-5-nitropyridine is a nitropyridine compound, mainly used as an organic synthetic raw material or pharmaceutical intermediate. | | Synthesis | Synthesis of compound 20: Compound 19 (3-methyl-5-nitropyridin-2(1H)-one, 16.60 g, 0.1 mol) was added to 80 mL of phosphoryl chloride (POCl3), heated to reflux and maintained for 8 hours. Upon completion of the reaction, excess phosphorus trichloride was removed by distillation. The reaction mixture was slowly poured into 300 g of crushed ice and a dark brown precipitate precipitated. The precipitate was collected by filtration to give 16.18 g of the target product 2-chloro-3-methyl-5-nitropyridine in 87.1% yield. The melting point of the product was 44.5-45.8 °C (literature value: 47-48 °C) [J.O.C., 1949, 14, 328-332]. | | References | [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 23, p. 7653 - 7668
[2] Patent: EP2366691, 2011, A1. Location in patent: Page/Page column 10
[3] Journal of Organic Chemistry, 1949, vol. 14, p. 328,331
[4] Patent: US2010/29684, 2010, A1. Location in patent: Page/Page column 14
[5] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 5, p. 985 - 995 |
| | 2-Chloro-3-methyl-5-nitropyridine Preparation Products And Raw materials |
|