Skip to main content
2-ACETONICOTINIC ACID CAS#: 89942-59-6
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2-ACETONICOTINIC ACIDIUPAC Name2-acetylpyridine-3-carboxylic acidMolecular StructureCAS Registry Number 89942-59-6MDL NumberMFCD05662419Synonyms2-Acetylnicotinic acid89942-59-62-acetylpyridine-3-carboxylic Acid3-Pyridinecarboxylic acid, 2-acetyl-2-AcetylnicotinicacidSCHEMBL2584629AMY9400DTXSID20888701JYUCDFZMJMRPHS-UHFFFAOYSA-NMFCD05662419AKOS006295456SB54033FT-0642150EN300-206970O10637A8433792-(Bromomethyl)-6,7-dichloro-2,3-dihydrobenzodioxineMolecular FormulaC8H7NO3Molecular Weight165.15InChIInChI=1S/C8H7NO3/c1-5(10)7-6(8(11)12)3-2-4-9-7/h2-4H,1H3,(H,11,12)InChI KeyJYUCDFZMJMRPHS-UHFFFAOYSA-N  Isomeric SMILESCC(=O)C1=C(C=CC=N1)C(=O)O  

Physical Data

AppearancePowder

Melting Point, °C Solvent (Melting Point) 127 - 128methanol, diethyl ether, hexane127 - 128benzene130127H2O

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Chemical shifts1HCDCl3Spin-spin coupling constantsCDCl3Chemical shifts13Cdimethylsulfoxide-d6Chemical shifts1HCDCl3, dimethylsulfoxide-d6

Description (IR Spectroscopy)Solvent (IR Spectroscopy)BandsBandsSpectrum

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1Absorption maximaH2O2702570

Route of Synthesis (ROS)

Route of Synthesis (ROS) 2-ACETONICOTINIC ACID CAS 89942-59-6

ConditionsYieldStage #1: 8-methylquinoline With sulfuric acid; oxygen; ozone In water at 1℃;Stage #2: With air In water at 60℃; for 2h;Stage #3: With sodium hydroxide In waterWith hydrogen In ethyl acetate at 20℃; under 7600.51 Torr; for 6h; Autoclave;Experimental Procedure250 kg of 8-methylquinoline (1.75 kmol) were dissolved in 3200 liters of water and 180 kg of 96% strength sulfuric acid (1.75 kmol).. The solution was cooled to a temperature of 1° C., and then a stream of oxygen which contained 50 to 60 g/M3 of ozone was introduced.. This was continued until the residual content of 8-methylquinoline was about 1 gram/liter (determination by means of GC).70%With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 0-5 deg C, 30 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction;

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (100%): May cause respiratory irritation Precautionary Statement CodesP261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from lightHS CodeStorageUnder room temperature away from lightShelf Life2 yearsMarket Price

DruglikenessLipinski rules componentMolecular Weight165.148logP0.351HBA4HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)67.26Rotatable Bond (RotB)2Matching Veber Rules2

Use Pattern2-ACETONICOTINIC ACID CAS#: 89942-59-6 is used in a Pesticide intermediates.
https://www.chemwhat.com/2-acetonicotinic-acid-cas-89942-59-6/

Comments

Post a Comment

Popular posts from this blog

The World's Largest Producer of Squaric Acid Emerges: Watson Leads the Way

In a groundbreaking development for the chemical industry, Watson has officially claimed the title of the world’s largest producer of squaric acid. This achievement marks a significant milestone, positioning the company as a global leader in the production of this highly versatile compound, widely valued in pharmaceuticals, polymer research, and advanced materials. What is Squaric Acid? Squaric acid, also known as quadratic acid, is a four-carbon cyclic diketone with two ketone groups and two hydroxyl groups arranged symmetrically. It is renowned for its stability and strong acidity, making it a unique compound in both organic and inorganic chemistry. Its derivatives find applications in creating advanced coatings, conductive polymers, and as intermediates in drug synthesis. Watson: Redefining Excellence in Squaric Acid Production Watson’s rise to the top of the squaric acid industry is backed by its unmatched production capacity, cutting-edge technology, and unwavering commitment...
Post a Comment
Read more
Names & IdentifiersProduct NameHYDROXYPROPYL CHITOSANSynonymsN-(2-Hydroxypropyl)chitosanCAS Registry Number104673-29-2Molecular FormulaMolecular Weight0EINECSOther Registry NumbersMore Identifiers on PubChemIUPA Names, InChI, InChI Key, Canonical SMILES, etc.Chemical & Physical Properties Safety & Hazards(Codes & Phrases) More Safety & Hazards From PubChem Signal, GHS Hazard Statements, Precautionary Statement Codes, etc. Literature Literature on PubChem Synthesis References, Metabolite References, etc. Patents Patents on PubChem Related Patents Of This Product Transportation, Storage & Usage Transportation No Information Storage No Information Usage No Information Spectral Properties No Information https://www.chemwhat.com/hydroxypropyl-chitosan-cas-104673-29-2/
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Namemethylammonium iodideIUPAC Namemethylazanium;iodide Molecular StructureCAS Registry Number 14965-49-2MDL NumberMFCD28100833SynonymsMethylammonium iodide14965-49-2methylazanium;iodideEINECS 239-037-4methylazanium iodideMethanamine, hydriodideMethyl ammonium iodideMethylamine.hydriodicacidSCHEMBL1534750Methylammonium Iodide, anhydrousDB-221235NS00086090Molecular FormulaCH6INMolecular Weight158.97InChIInChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1HInChI KeyLLWRXQXPJMPHLR-UHFFFAOYSA-N  Canonical SMILESC. Patent InformationPatent IDTitlePublication DateWO2023/180219A METHOD FOR SYNTHESIS OF HALIDE SALTS2023CN113845428Preparation method of perovskite material powder2021WO2018/169373METHOD OF PREPARING LUMINESCENT NANO-SHEET, LUMINESCENT NANO-SHEET MATERIAL, LUMINESCENT NANO-SHEET FILM, BACK LIGHT, AND LIQUID CRYSTAL DISPLAY APPARATUS2018WO2015/32748AMORPHOUS MATERIAL AND THE USE THEREOF2018 ...
Post a Comment
Read more