Pyrazinecarbonitrile - CAS 19847-12-2
Catalog: |
BB015349 |
Product Name: |
Pyrazinecarbonitrile |
CAS: |
19847-12-2 |
Synonyms: |
pyrazine-2-carbonitrile |
IUPAC Name: | pyrazine-2-carbonitrile |
Description: | Pyrazinecarbonitrile (CAS# 19847-12-2) is used as a single-source precursor in the synthesis of metal-free nitrogen-doped carbon nanoparticles (NCNPs). Also, it is an important intermediate in the production of pyrazinamide as an effective anti-tubercular drug. |
Molecular Weight: | 105.10 |
Molecular Formula: | C5H3N3 |
Canonical SMILES: | C1=CN=C(C=N1)C#N |
InChI: | InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H |
InChI Key: | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
Boiling Point: | 87 °C (6 mmHg) |
Density: | 1.174 g/cm3 |
MDL: | MFCD00049361 |
LogP: | 0.34828 |
GHS Hazard Statement: | H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207210-A1 | Methods for synthesis of chk1 inhibitors | 20200407 |
WO-2021176049-A1 | Pyrazolopyrazines acting on cancers via inhibition of cdk12 | 20200306 |
WO-2021178780-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20200306 |
WO-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 20200218 |
WO-2021108483-A1 | Therapeutic compounds | 20191127 |
PMID | Publication Date | Title | Journal |
22259349 | 20120101 | Bis[5-(pyridin-2-yl)pyrazine-2-carbo-nitrile-κN,N]silver hexa-fluorido-phosphate | Acta crystallographica. Section E, Structure reports online |
22199547 | 20111201 | Bis[5-(pyridin-2-yl)pyrazine-2-carbo-nitrile-κN,N]silver(I) perchlorate | Acta crystallographica. Section E, Structure reports online |
22199631 | 20111201 | (Nitrato-κO)bis-[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κN,N]silver(I) | Acta crystallographica. Section E, Structure reports online |
21701755 | 20110807 | Tuning the surface composition of novel metal vanadates and its effect on the catalytic performance | Chemical communications (Cambridge, England) |
21273083 | 20110215 | Synthesis and antimycobacterial properties of N-substituted 6-amino-5-cyanopyrazine-2-carboxamides | Bioorganic & medicinal chemistry |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 105.032697108 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 105.032697108 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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