2-Methylpyrazine - CAS 109-08-0
Catalog: |
BB002378 |
Product Name: |
2-Methylpyrazine |
CAS: |
109-08-0 |
Synonyms: |
2-methylpyrazine |
IUPAC Name: | 2-methylpyrazine |
Description: | 2-Methylpyrazine (CAS# 109-08-0) is an intermediate used to synthesize 5-Methyl-2(1H)-pyrazinone (M324900) which is a derivative of 2-Hydroxypyrazine (H952710). 2-Hydroxypyrazine (H952710) is used in the synthesis of potential antioxidants. |
Molecular Weight: | 94.11 |
Molecular Formula: | C5H6N2 |
Canonical SMILES: | CC1=NC=CN=C1 |
InChI: | InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3 |
InChI Key: | CAWHJQAVHZEVTJ-UHFFFAOYSA-N |
Boiling Point: | 135 °C (761 torr) |
Melting Point: | -29 °C |
Purity: | 95 % |
Density: | 1.03 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00006142 |
LogP: | 0.78500 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22969442 | 20120901 | Poly[aqua-μ-bromido-(μ(2)-5-methyl-pyrazine-2-carboxyl-ato-κ(4)N(1),O(2):O(2),O(2'))lead(II)] | Acta crystallographica. Section E, Structure reports online |
22972787 | 20120901 | Characterization of cocoa liquors by GC-MS and LC-MS/MS: focus on alkylpyrazines and flavanols | Journal of mass spectrometry : JMS |
22465766 | 20120701 | Synthesis, crystal structure, spectroscopic investigations, thermal behavior and DFT calculations of pentacarbonyl(2-methylpyrazine)chromium(0) | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22475074 | 20120420 | Synthesis and photophysical investigation of a series of push-pull arylvinyldiazine chromophores | The Journal of organic chemistry |
22515239 | 20120401 | Volatile compounds of black cumin seeds (Nigella sativa L.) from microwave-heating and conventional roasting | Journal of food science |
Complexity: | 54 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 94.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 94.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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