3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo- supplier

Name
5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE
EINECS
CAS No. 23819-92-3
Article Data11
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 275-278℃
Formula C₈H₇ClN₂O
Boiling Point 288.6 °C at 760 mmHg
Molecular Weight 182.609
Flash Point 128.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinonitrile, 5-chloro-2-hydroxy-4,6-dimethyl- (8CI);
PSA 56.91000
LogP 1.92908

3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo- Specification

The 3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo- is an organic compound with the formula C₈H₇ClN₂O. The systematic name of this chemical is 5-chloro-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. With the CAS registry number 23819-92-3, it is also named as 5-chloro-2-hydroxy-4,6-dimethylnicotinonitrile.

Physical properties about 3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo- are: (1)ACD/LogP: 0.48; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 42.86; (7)ACD/KOC (pH 7.4): 19.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 44.1 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 44.48 cm³; (13)Molar Volume: 138.7 cm³; (14)Polarizability: 17.63×10^-24cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.31 g/cm³; (17)Flash Point: 128.3 °C; (18)Enthalpy of Vaporization: 52.78 kJ/mol; (19)Boiling Point: 288.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00232 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C(\C(\Cl)=C(/NC1=O)C)C
(2)InChI: InChI=1/C8H7ClN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
(3)InChIKey: CEIUMKPKEXHJEN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7ClN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
(5)Std. InChIKey: CEIUMKPKEXHJEN-UHFFFAOYSA-N

Product Name

5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE

3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo- Specification

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