5-Bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile supplier

Name
5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
EINECS
CAS No. 23819-87-6
Article Data12
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point 263-266 °C
Formula C₈H₇BrN₂O
Boiling Point 301 °C at 760 mmHg
Molecular Weight 227.06
Flash Point 135.8 °C
Transport Information
Appearance
Safety 9-26-36/37
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-;
PSA 56.91000
LogP 2.03818

5-Bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Specification

The 5-Bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile, with the CAS registry number 23819-87-6, is also known as 3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-. This chemical's molecular formula is C₈H₇BrN₂O and molecular weight is 227.058. Its systematic name is called 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile.

Physical properties of 5-Bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 3.15; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 54.16; (7)ACD/KOC (pH 7.4): 3.64; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 47.38 cm³; (12)Molar Volume: 140.6 cm³; (13)Surface Tension: 51.5 dyne/cm; (14)Density: 1.61 g/cm³; (15)Flash Point: 135.8 °C; (16)Enthalpy of Vaporization: 54.11 kJ/mol; (17)Boiling Point: 301 °C at 760 mmHg; (18)Vapour Pressure: 0.00109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C(\C(\Br)=C(/NC1=O)C)C
(2)InChI: InChI=1/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
(3)InChIKey: DFGKQCOFARYQOA-UHFFFAOYAT

Product Name

5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

5-Bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Specification

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