Physical Data :density: 1.124 g mL 1 at 25°C; flash point 26°C. Form Supplied in :liquid (colorless to yellow to brown). Analysis of Reagent Purity : 1 H NMR 4 ; 13 C NMR 4 ; IR absorption frequency: 1802–1820 cm 1 (C O), 900 cm 1 (ring). 3 Preparative Method :...
3-Oxetanone | 6704-31-0 - chemical and physical properties, structure, melting point, boiling point, density, molecular formula, molecular weight, uses, prices, suppliers, and toxicity/safety/hazards/SDS information.
Product Name2-Oxetanone,4-(1-methylethyl)-3-propyl-,(3R,4R)-rel-(9CI) CAS261627-52-5 MFC9H16O2 MW156.22 EINECS MOL File261627-52-5.molChemical Properties Boiling point 217.3±9.0 °C(Predicted) Density 0.948±0.06 g/cm3(Predicted)2-Oxetanone,4-(1-methylethyl)-3-propyl-,(3R,4...
density1.69±0.1 g/cm3(Predicted) pka3.05±0.20(Predicted) Safety Information MSDS Information 8H-Purin-8-one, 2-[(7-chloro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7,9-dihydro-7-methyl-9-[(3-methyl-3-oxetanyl)methyl]- Usage And Synthesis ...
3-Oxetanone | 6704-31-0 - chemical and physical properties, structure, melting point, boiling point, density, molecular formula, molecular weight, uses, prices, suppliers, and toxicity/safety/hazards/SDS information.
DENSITY FUNCTIONAL THEORYNATURAL BOND ORBITALQUANTUM THEORY OF ATOMS IN MOLECULESThe kinetics and mechanism of the thermal decomposition reaction of 3-oxetanone in the gas phase were studied using quantum chemical calculations. The major products of this reaction are formaldehyde, ketene, carbon ...
density functional calculationsmicrowave chemistrynitrogen heterocyclessulfur heterocyclesThe direct microwave-mediated condensation between 3-oxetanone and primary amides and thioamides has delivered moderate to good yields of (hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles. The reactions use a sustainable...
Benzo- and azino-fused bis(1,2,3-dithiazoles) were investigated computationally using density functional theory (DFT) in an attempt to relate structure to ... CP Constantinides,TA Ioannou,PA Koutentis - 《Polyhedron》 被引量: 3发表: 2013年 Theoretical study of star shaped benzotriindole base...
density 1.231 Fp 53 °C refractive index 1.426 storage temp. -20°C solubility Miscible with tetrahydrofuran. form clear liquid color Colorless to Red to Green InChI InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2 InChIKey ROADCYAOHVSOLQ-UHFFFAOYSA-N SMILES O1CC(=O)C1Safety...
Density1.231 Flash point53 °C refractive index1.426 storage temp.-20°C solubilityMiscible with tetrahydrofuran. formclear liquid colorColorless to Red to Green InChIInChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2 InChIKeyROADCYAOHVSOLQ-UHFFFAOYSA-N ...