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5-Methylpyrazine-2-carbonitrile

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Name

5-Methylpyrazine-2-carbonitrile

EINECS N/A
CAS No. 98006-91-8 Density 1.16 g/cm3
PSA 49.57000 LogP 0.65668
Solubility N/A Melting Point N/A
Formula C6H5N3 Boiling Point 247.1 °C at 760 mmHg
Molecular Weight 119.126 Flash Point 96.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 98006-91-8 (5-METHYLPYRAZINE-2-CARBONITRILE) Hazard Symbols N/A
Synonyms

2-Cyano-5-methylpyrazine;2-Methylpyrazine-5-carbonitrile;

Article Data 3

5-Methylpyrazine-2-carbonitrile 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

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