3-Methyl-2-pyridinecarbonitrile
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3-Methyl-2-pyridinecarbonitrile
structure -
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CAS No:
20970-75-6
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Formula:
C7H6N2
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Chemical Name:
3-Methyl-2-pyridinecarbonitrile
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Synonyms:
2-Pyridinecarbonitrile,3-methyl-;Picolinonitrile,3-methyl-;3-Methyl-2-pyridinecarbonitrile;2-Cyano-3-methylpyridine;3-Methylpicolinonitrile;2-Cyano-3-picoline;3-Methyl-2-cyanopyridine;3-Methylpicolonitrile
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CAS No:
Characteristics
36.7
1.3
Light beige Crystalline Powder
1.1±0.1 g/cm3
85-86 °C
120 °C @ Press: 15 Torr
115°C
1.531
Store in a cool, dry place. Store in a tightly closed container.
0.024mmHg at 25°C
Safety Information
III
6.1
3439
3
36/37/38
26-36-36/37
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H302 (12.28%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 57 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Methyl-2-pyridinecarbonitrile Use and Manufacturing
To the drying reactor was added 3-methylpyridine-N-oxide (2.94 g, 27 mmol) Dioxane 50ml, Stirred at room temperature for 5 minutes, Then, dimethylcarbamoyl chloride (7.82 g, 72 mmol) was slowly added thereto, Continue stirring for 5 minutes. Then heated to 45 ° C, Insulation reaction for 2 hours. The reaction solution was cooled to room temperature, Into the low temperature tank, -10 to 6 ° C under the conditions of adding 26.5percent (w / w) Of potassium cyanide (16.55 g, 67 mmol) in water, Insulation reaction for 2.5 hours. Add 6.2percent (w / w) Of aqueous NaOH solution 22ml, Stir for 10 min. Dichloromethane extraction, The solvent was distilled off under reduced pressure, Acetonitrile-water (1:30) to give 2.82 g of white crystals, Yield 88.6percentII-1-1:
Used as an intermediate for omeprazole, biloride, loratadine and other drugs
Computed Properties
Molecular Weight:118.14
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:118.053098200
Monoisotopic Mass:118.053098200
Topological Polar Surface Area:36.7
Heavy Atom Count:9
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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