Cas no 98006-91-8 (5-Methylpyrazine-2-carbonitrile)

5-Methylpyrazine-2-carbonitrile is a heterocyclic organic compound featuring a pyrazine core substituted with a methyl group at the 5-position and a nitrile functional group at the 2-position. This structure imparts reactivity suitable for applications in pharmaceutical and agrochemical synthesis, particularly as a versatile intermediate in the preparation of more complex molecules. Its nitrile group enables further functionalization through hydrolysis, reduction, or cyclization reactions. The compound’s stability and well-defined reactivity profile make it valuable for research and industrial processes requiring precise molecular modifications. It is typically handled under controlled conditions due to its potential sensitivity to moisture and heat.
5-Methylpyrazine-2-carbonitrile structure
98006-91-8 structure
Product Name:5-Methylpyrazine-2-carbonitrile
CAS No:98006-91-8
MF:C6H5N3
MW:0
MDL:MFCD04116510
CID:654187
PubChem ID:2760047
Update Time:2025-06-07

5-Methylpyrazine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Methylpyrazine-2-carbonitrile
    • 5-Methyl-2-pyrazinecarbonitrile
    • 5-Methyl-pyrazin-2-carbonitrile
    • Pyrazinecarbonitrile, 5-methyl- (9CI)
    • 2-Pyrazinecarbonitrile, 5-methyl-
    • 2-Pyrazinecarbonitrile,5-methyl
    • 2-Cyano-5-methylpyrazine
    • 2-Methylpyrazine-5-carbonitrile
    • 5-Methyl-2-cyanopyrazine
    • 5-Methyl-2-pyrazinecarbonitrile (ACI)
    • A1-24369
    • 5-Methyl-pyrazine-2-carbonitrile
    • AKOS006294411
    • Z1198164470
    • SY022841
    • AB20698
    • AYMRPLHDHGMXOF-UHFFFAOYSA-N
    • 2-Methyl-5-Cyanopyrazine
    • PYRAZINECARBONITRILE, 5-METHYL-
    • SCHEMBL2143383
    • EN300-106522
    • J-517821
    • MFCD04116510
    • AS-42128
    • DTXSID80374998
    • AC-30163
    • CS-0012682
    • 98006-91-8
    • MDL: MFCD04116510
    • Inchi: InChI=1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3
    • InChI Key: AYMRPLHDHGMXOF-UHFFFAOYSA-N
    • SMILES: CC1=NC=C(C#N)N=C1

Computed Properties

  • Exact Mass: 119.04800
  • Monoisotopic Mass: 119.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 135
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 49.6A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.16
  • Melting Point: No data available
  • Boiling Point: 247 oC
  • Flash Point: 96 oC
  • Refractive Index: 1.531
  • PSA: 49.57000
  • LogP: 0.65668
  • Vapor Pressure: No data available

5-Methylpyrazine-2-carbonitrile Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-Methylpyrazine-2-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrogen Catalysts: Palladium Solvents: Methanol ;  2.0 MPa, rt → 100 °C; 10 h, 100 °C
Reference
Preparation method of 2-amino-5-methylpyrazine from 2-aminopropanediamide and methylglyoxal
, China, , ,

Production Method 2

Reaction Conditions
Reference
Product class 14: pyrazines
Sato, N., Science of Synthesis, 2004, 16, 751-844

Production Method 3

Reaction Conditions
Reference
Process for preparing heteroaromatic nitriles by ammoxidation of alkyl-substituted heteroaromatics using molybdenum-containing catalysts
, European Patent Organization, , ,

Production Method 4

Reaction Conditions
Reference
Studies on pyrazines. Part 22. Lewis acid-mediated cyanation of pyrazine N-oxides with trimethylsilyl cyanide: new route to 2-substituted 3-cyanopyrazines
Sato, Nobuhiro; Shimomura, Yuji; Ohwaki, Yoshie; Takeuchi, Ryo, Journal of the Chemical Society, 1991, (1991), 2877-81

Production Method 5

Reaction Conditions
Reference
Antituberculotics. XXXII. Functional derivatives of 5-methyl-2-pyrazinecarboxylic acid
Vontor, T.; Palat, K.; Oswald, J.; Odlerova, Z., Cesko-Slovenska Farmacie, 1985, 34(2), 74-8

5-Methylpyrazine-2-carbonitrile Raw materials

5-Methylpyrazine-2-carbonitrile Preparation Products

5-Methylpyrazine-2-carbonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:98006-91-8)5-Methylpyrazine-2-carbonitrile
Order Number:A856055
Stock Status:in Stock
Quantity:25g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:58
Price ($):211.0/153.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:98006-91-8)5-Methylpyrazine-2-carbonitrile
A856055
Purity:99%/99%
Quantity:25g/5g
Price ($):211.0/153.0
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