4-Acetylpyridine - CAS 1122-54-9
Catalog: |
BB002908 |
Product Name: |
4-Acetylpyridine |
CAS: |
1122-54-9 |
Synonyms: |
1-pyridin-4-ylethanone |
IUPAC Name: | 1-pyridin-4-ylethanone |
Description: | 4-Acetylpyridine (CAS# 1122-54-9) is a acetylated pyridine used in the preparation of nitrogen containing bicyclic heterocycles and other organic compounds. 4-Acetylpyridine is also present in mainstream cigarette smoke. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | CC(=O)C1=CC=NC=C1 |
InChI: | InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3 |
InChI Key: | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
Boiling Point: | 212 °C |
Flash Point: | greater than 200 °F |
Purity: | 97 % |
Density: | 1.095 g/cm3 |
Appearance: | Dark amber liquid. |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.28420 |
Vapor Pressure: | 4.9 mmHg at 77 °F ; 6.1 mmHg at 94.1 °F |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113512720-A | Copper precipitation pretreatment liquid and pretreatment method thereof | 20210705 |
CN-113215861-A | Baked sweet and fragrant cigarette paper and preparation method thereof | 20210428 |
CN-113189168-A | Microelectrode integrated sensing chip and application thereof in rapid detection of organic pollutants in water | 20210331 |
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PMID | Publication Date | Title | Journal |
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 |
22058699 | 20111001 | catena-Poly[[(triphenyl-phosphane)copper(I)]-di-μ-iodido-[(triphenyl-phosphane)copper(I)]-μ-{1,2-bis-[1-(pyridin-4-yl)ethyl-idene]hydrazine}] | Acta crystallographica. Section E, Structure reports online |
21247117 | 20110110 | Open vessel and cooling while heating microwave-assisted synthesis of pyridinyl N-aryl hydrazones | ACS combinatorial science |
21587859 | 20100616 | 4-Acetyl-pyridinium iodide | Acta crystallographica. Section E, Structure reports online |
21587677 | 20100605 | Hexa-kis-(4-acetyl-pyridinium) octa-deca-chloridotetra-anti-monate(III) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 106 |
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: | 0.5 |
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