2-Pyridinecarbonitrile,5-acetyl- supplier

Name
5-Acetyl-2-cyanopyridine
EINECS
CAS No. 249583-84-4
Article Data4
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O
Boiling Point 336.5 °C at 760 mmHg
Molecular Weight 146.148
Flash Point 157.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-acetylpyridine-2-carbonitrile;2-pyridinecarbonitrile, 5-acetyl-;
PSA 53.75000
LogP 1.15588

2-Pyridinecarbonitrile,5-acetyl- Specification

The 2-Pyridinecarbonitrile,5-acetyl-, with the CAS registry number 249583-84-4, has the systematic name of 5-acetylpyridine-2-carbonitrile. It belongs to the product categories of Acetylgroup and Pyridine. And the molecular formula of this chemical is C₈H₆N₂O.

The physical properties of 2-Pyridinecarbonitrile,5-acetyl- are as following: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 53.75 Å²; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 38.48 cm³; (11)Molar Volume: 122.7 cm³; (12)Polarizability: 15.25×10^-24cm³; (13)Surface Tension: 53.5 dyne/cm; (14)Density: 1.19 g/cm³; (15)Flash Point: 157.3 °C; (16)Enthalpy of Vaporization: 57.96 kJ/mol; (17)Boiling Point: 336.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cn1)C(C)=O
(2)InChI: InChI=1/C8H6N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5H,1H3
(3)InChIKey: XKHZUBPLEFQIEM-UHFFFAOYAG

Product Name

5-Acetyl-2-cyanopyridine

2-Pyridinecarbonitrile,5-acetyl- Specification

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