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2-Acetyl-4-cyanopyridine

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Name

2-Acetyl-4-cyanopyridine

EINECS N/A
CAS No. 37398-49-5 Density 1.19 g/cm3
PSA 53.75000 LogP 1.15588
Solubility N/A Melting Point N/A
Formula C8H6N2O Boiling Point 263.538 °C at 760 mmHg
Molecular Weight 146.148 Flash Point 113.184 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 37398-49-5 (2-ACETYL-ISONICOTINONITRILE) Hazard Symbols N/A
Synonyms

4-Pyridinecarbonitrile, 2-acetyl-;

 

2-Acetyl-4-cyanopyridine Specification

The 2-Acetyl-4-cyanopyridine, with the CAS registry number 37398-49-5, is also known as 4-Pyridinecarbonitrile, 2-acetyl-. It belongs to the product categories of Acetylgroup; Pyridines. This chemical's molecular formula is C8H6N2O and molecular weight is 146.14604. What's more, its IUPAC name is 2-Acetylpyridine-4-carbonitrile.

Physical properties about 2-Acetyl-4-cyanopyridine are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 51; (8)ACD/KOC (pH 7.4): 51; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.75 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 38.489 cm3; (15)Molar Volume: 122.769 cm3; (16)Polarizability: 15.258×10-24 cm3; (17)Surface Tension: 53.539 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 113.184 °C; (20)Enthalpy of Vaporization: 50.137 kJ/mol; (21)Boiling Point: 263.538 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc(ccn1)C#N
(2) InChI: InChI=1/C8H6N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4H,1H3
(3) InChIKey: WISLYNBDMYWHNF-UHFFFAOYAO

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