3-Pyridinecarbonitrile,4,6-dimethyl- supplier

Name
4,6-DIMETHYLNICOTINONITRILE
EINECS 205-525-8
CAS No. 6623-21-8
Article Data11
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point 57-58oC
Formula C₈H₈N₂
Boiling Point 250.6 °C at 760 mmHg
Molecular Weight 132.165
Flash Point 97.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinonitrile,4,6-dimethyl- (6CI,7CI,8CI);3-Cyano-4,6-dimethylpyridine;4,6-Dimethylnicotinonitrile;NSC 54160;
PSA
LogP

3-Pyridinecarbonitrile,4,6-dimethyl- Specification

The IUPAC name of 3-Pyridinecarbonitrile,4,6-dimethyl- is 4,6-dimethylpyridine-3-carbonitrile. With the CAS registry number 6623-21-8, it is also named as 3-Cyano-4,6-dimethylpyridine. The product's category is Pyridines. In addition, its molecular formula is C₈H₈N₂ and its molecular weight is 132.16.

The other characteristics of 3-Pyridinecarbonitrile,4,6-dimethyl- can be summarized as: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 36.68 Å²; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 38.36 cm³; (9)Molar Volume: 125.1 cm³; (10)Polarizability: 15.2×10^-24cm³; (11)Surface Tension: 45.6 dyne/cm; (12)Density: 1.05 g/cm³; (13)Flash Point: 97.2 °C; (14)Enthalpy of Vaporization: 48.79 kJ/mol; (15)Boiling Point: 250.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0214 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1cnc(cc1C)C
(2)InChI: InChI=1/C8H8N2/c1-6-3-7(2)10-5-8(6)4-9/h3,5H,1-2H3
(3)InChIKey: BZIDYPIJVCEUIB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H8N2/c1-6-3-7(2)10-5-8(6)4-9/h3,5H,1-2H3
(5)Std. InChIKey: BZIDYPIJVCEUIB-UHFFFAOYSA-N

Product Name

4,6-DIMETHYLNICOTINONITRILE

3-Pyridinecarbonitrile,4,6-dimethyl- Specification

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