| Identification | More | [Name]
2-CYANO-4-METHYLPYRIDINE | [CAS]
1620-76-4 | [Synonyms]
2-CYANO-4-METHYLPYRIDINE
2-CYANO-4-PICOLINE
4-METHYL-2-PYRIDINECARBONITRILE
4-METHYLPYRIDINE-2-CARBONITRILE
4-Methylpicolinonitrile
2-CYANO-4-METHYLPYRIDINE (2-CYANO-4-PICOLINE)
2-Cyano-4-methylpyridine, 4-Methyl-2-cyanopyridine
2-Cyano-4-methylpyridine ,98% | [EINECS(EC#)]
627-197-1 | [Molecular Formula]
C7H6N2 | [MDL Number]
MFCD00128868 | [Molecular Weight]
118.14 | [MOL File]
1620-76-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
83-87 °C | [Boiling point ]
145-148°C 38mm | [density ]
1.08±0.1 g/cm3(Predicted) | [Fp ]
145-148°C/38mm | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
0.35±0.10(Predicted) | [color ]
White to Gray to Brown | [Water Solubility ]
Slightly soluble in water. | [Detection Methods]
HPLC | [BRN ]
110753 | [InChI]
InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3 | [InChIKey]
LQAWSWUFSHYCHP-UHFFFAOYSA-N | [SMILES]
C1(C#N)=NC=CC(C)=C1 | [CAS DataBase Reference]
1620-76-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
3276 | [WGK Germany ]
3 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
White to brown solid | [Uses]
2-Cyano-4-methylpyridine can react to produce C7H7NO2.ClH. This reaction will need reagent 6 NHCl. | [Synthesis]
4-Methylpyridine-N-oxide (2.0 g, 18.3 mmol) was used as starting material and dissolved in nitroethane (25 mL). Subsequently, trimethylcyanosilane (2.0 g, 20.2 mmol) and N,N-dimethylcarbamoyl chloride (1.7 mL, 18.5 mmol) were added sequentially to this solution. The reaction mixture was stirred at room temperature for 5 days. Upon completion of the reaction, the mixture was concentrated under reduced pressure, combined with saturated aqueous sodium bicarbonate solution and extracted with ethyl acetate. The organic phases were combined and the solvent was removed by evaporation under reduced pressure. The resulting crystals were collected by filtration, washed with diisopropyl ether and dried to afford the target product 2-cyano-4-methylpyridine (0.91 g, 42% yield). The product was characterized by 1H-NMR (CDCl3), δ: 2.43 (3H, s), 7.33 (1H, d, J = 5.1 Hz), 7.53 (1H, s), 8.57 (1H, d, J = 4.8 Hz). | [References]
[1] Journal of Organic Chemistry, 1983, vol. 48, # 8, p. 1375 - 1377
[2] Journal of Organic Chemistry, 2013, vol. 78, # 16, p. 8054 - 8064
[3] Synthesis, 1983, # 4, p. 316 - 319
[4] Advanced Synthesis and Catalysis, 2013, vol. 355, # 5, p. 947 - 956
[5] Journal of the American Chemical Society, 1990, vol. 112, # 17, p. 6248 - 6254 |
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