3-Acetylpyridine - CAS 350-03-8
Catalog: |
BB022392 |
Product Name: |
3-Acetylpyridine |
CAS: |
350-03-8 |
Synonyms: |
1-pyridin-3-ylethanone |
IUPAC Name: | 1-pyridin-3-ylethanone |
Description: | 3-Acetylpyridine (CAS# 350-03-8) is an impurity of Imatinib. It is a COVID19-related research product. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | CC(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 |
InChI Key: | WEGYGNROSJDEIW-UHFFFAOYSA-N |
Boiling Point: | 220 °C |
Melting Point: | 41986°C |
Flash Point: | 104°C |
Purity: | 98 % |
Density: | 1.102 g/cm3 |
Solubility: | 4.267e+004 mg/L at 25 °C (est) |
Appearance: | Clear colorless to yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry area away from incompatible substances. |
MDL: | MFCD00006396 |
LogP: | 1.28420 |
Refractive Index: | 1.5326-1.5346 |
GHS Hazard Statement: | H301 (99.88%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113308384-A | Cordyceps sinensis strain and application thereof | 20210715 |
CN-112645871-A | N-CF2H-1, 2-dihydroSynthesis method of pyridine-2-ketone compound | 20201231 |
CN-112284564-A | Temperature sensing warning indicator and preparation method thereof | 20201130 |
CN-213516078-U | Temperature sensing warning indicator | 20201130 |
CN-112479998-A | Dihydroquinoline fluorescent probe and preparation method and application thereof | 20201116 |
PMID | Publication Date | Title | Journal |
27986589 | 20170101 | 3-Acetylpyridine neurotoxicity in mice | Neurotoxicology |
22858225 | 20120901 | The synthesis, spectroscopic, X-ray characterization and in\xa0vitro cytotoxic testing results of activity of five new trans-platinum(IV) complexes with functionalized pyridines | European journal of medicinal chemistry |
22590180 | 20120501 | Bis(3-acetyl-pyridine-κN)diaqua-bis-(seleno-cyanato-κN)cobalt(II) | Acta crystallographica. Section E, Structure reports online |
22590181 | 20120501 | catena-Poly[[bis-(3-acetyl-pyridine-κN)cadmium]-di-μ-seleno-cyanato-κ(2)N:Se;κ(2)Se:N] | Acta crystallographica. Section E, Structure reports online |
22421016 | 20120417 | Morphology of single olivocerebellar axons in the denervation-reinnervation model produced by subtotal lesion of the rat inferior olive | Brain research |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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