CAS No.98006-91-8,5-METHYLPYRAZINE-2-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98006-91-8
Name:	5-METHYLPYRAZINE-2-CARBONITRILE
Article Data:	3

Formula:	C₆H₅N₃
Molecular Weight:	119.126
Synonyms:	2-Cyano-5-methylpyrazine;2-Methylpyrazine-5-carbonitrile;
Density:	1.16 g/cm³
Boiling Point:	247.1 °C at 760 mmHg
Flash Point:	96.3 °C
PSA:	49.57000
LogP:	0.65668

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Specification

The 2-Pyrazinecarbonitrile, 5-methyl-, with the CAS registry number 98006-91-8, is also known as 2-Cyano-5-methylpyrazine. It belongs to the product category of Nitrile. This chemical's molecular formula is C₆H₅N₃ and molecular weight is 119.12. What's more, its IUPAC name is 5-Methylpyrazine-2-carbonitrile.

Physical properties about 2-Pyrazinecarbonitrile, 5-methyl- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 34.99; (8)ACD/KOC (pH 7.4): 34.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.57 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 31.54 cm³; (15)Molar Volume: 101.8 cm³; (16)Polarizability: 12.5×10^-24 cm³; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 48.42 kJ/mol; (21)Boiling Point: 247.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0261 mmHg at 25 °C.

Preparation of 2-Pyrazinecarbonitrile, 5-methyl-: this chemical is prepared by reaction of 2-Methyl-pyrazine 4-oxide with Trimethyl-silanecarbonitrile by heating. This reaction needs reagents ZnBr₂ and Triethylamine. Meanwhile, it needs solvent Acetonitrile. The reaction time is 18 hours. The yield is about 51 %.

The 2-Pyrazinecarbonitrile, 5-methyl- can be obtained by 2-Methyl-pyrazine 4-oxide and Trimethyl-silanecarbonitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncc(nc1)C
(2) InChI: InChI=1/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3
(3) InChIKey: AYMRPLHDHGMXOF-UHFFFAOYAX