| Identification | Back Directory | [Name]
2,5-Dichloronicotinonitrile | [CAS]
126954-66-3 | [Synonyms]
2,5-Dichloronicotinonitrile
2,5-dichloro-3-cyanopyridine
3-CYANO-2,5-DICHLOROPYRIDINE
2,5-Dichloronicotinonitrile 97%
2,5-Dichloro-3-pyridinecarbonitrile
3-Pyridinecarbonitrile, 2,5-dichloro-
2,5-Dichloronicotinonitrile ISO 9001：2015 REACH
2,5-Dichloropyridine-3-carbonitrile, 3-Cyano-2,5-dichloropyridine | [Molecular Formula]
C6H2Cl2N2 | [MDL Number]
MFCD13185481 | [MOL File]
126954-66-3.mol | [Molecular Weight]
173 |
| Chemical Properties | Back Directory | [Melting point ]
118-119℃ | [Boiling point ]
255℃ | [density ]
1.49 | [Fp ]
108℃ | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-4.56±0.10(Predicted) | [Appearance]
White to light brown Solid | [InChI]
InChI=1S/C6H2Cl2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H | [InChIKey]
CZKCARRNABGWOH-UHFFFAOYSA-N | [SMILES]
C(#N)C1=C(Cl)N=CC(Cl)=C1 |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 2,5-dichloronicotinonitrile from 2,5-dichloronicotinamide was as follows: 2,5-dichloronicotinamide (180 mg, 0.94 mmol) was dissolved in dichloromethane (8.0 mL). Subsequently, trifluoroacetic anhydride (0.16 mL, 1.20 mmol) and triethylamine (0.30 mL, 2.20 mmol) were sequentially added to the reaction system and the reaction mixture was stirred. After the reaction was completed, the reaction solution was slowly poured into water (50 mL). The aqueous phase was extracted with dichloromethane (80 mL x 3) and the organic phase was combined. The organic phase was washed with saturated saline (150 mL) and dried over anhydrous sodium sulfate. The filtrate was concentrated under reduced pressure and the resulting residue was purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether) to give 2,5-dichloronicotinonitrile (155 mg, 95% yield) as a white solid. | [References]
[1] Patent: CN108276401, 2018, A. Location in patent: Paragraph 0475; 0507; 0508
[2] Patent: WO2018/127096, 2018, A1. Location in patent: Paragraph 00260
[3] Patent: CN108727369, 2018, A. Location in patent: Paragraph 0607; 0622-0624 |
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