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62068-78-4

62068-78-4 Structure

62068-78-4 Structure
IdentificationBack Directory
[Name]

2,6-Dichloronicotinamide
[CAS]

62068-78-4
[Synonyms]

DichloronicotinaMide
2,6-Dichloronicotimide
2,6-Dichloronicotinamide
2,6-Dichloropyridine-3-carboxamide
3-Pyridinecarboxamide, 2,6-dichloro-
2,6-Dichloropyridine-3-carboxamide 97%
2,6-Dichloronicotinamide ISO 9001:2015 REACH
[Molecular Formula]

C6H4Cl2N2O
[MDL Number]

MFCD03230010
[MOL File]

62068-78-4.mol
[Molecular Weight]

191.01
Chemical PropertiesBack Directory
[Melting point ]

148-151 °C
[Boiling point ]

315.5±42.0 °C(Predicted)
[density ]

1.524±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

powder
[pka]

13.91±0.50(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C6H4Cl2N2O/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H,(H2,9,11)
[InChIKey]

TZQZNPXAAMVOKE-UHFFFAOYSA-N
[SMILES]

NC(=O)c1ccc(Cl)nc1Cl
Questions And AnswerBack Directory
[Uses]

2,6-Dichloronicotinamide is used as a research compound and in organic synthesis, etc.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dichloronicotinamide(62068-78-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

2,6-Dichloronicotinonitrile

40381-90-6

2,6-Dichloronicotinamide

62068-78-4

General procedure for the synthesis of 2,6-dichloronicotinamide from 2,6-dichloronicotinonitrile: To 2,6-dichloronicotinonitrile (1.73 g, 10 mmol) was added concentrated sulfuric acid (10 mL) and water (2 mL). The reaction mixture was heated to 90 °C and stirred continuously for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently slowly poured into ice water. The pH of the mixture was adjusted with ammonia to 8. The precipitate precipitated was collected by filtration, washed with cold water (20 mL) and finally dried under vacuum to give 2,6-dichloronicotinamide as a brown solid (1.4 g, 73% yield). Mass spectrum (ESI): m/z = 191.1 [M + H]+.

[References]

[1] Patent: WO2015/48662, 2015, A2. Location in patent: Page/Page column 37
[2] Patent: CN107226805, 2017, A. Location in patent: Paragraph 0097; 0098; 0099; 0100; 0101
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