4-Phenyl-1,2,4-triazoline-3,5-dione - CAS 4233-33-4
Catalog: |
BB025108 |
Product Name: |
4-Phenyl-1,2,4-triazoline-3,5-dione |
CAS: |
4233-33-4 |
Synonyms: |
4-phenyl-1,2,4-triazole-3,5-dione |
IUPAC Name: | 4-phenyl-1,2,4-triazole-3,5-dione |
Description: | Azodicarbonyl reagent used in the methods for determining levels of 1,25 dihydroxyvitamin d2 and d3 in biological and food samples and dietary supplements. |
Molecular Weight: | 175.14 |
Molecular Formula: | C8H5N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=O)N=NC2=O |
InChI: | InChI=1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H |
InChI Key: | ISULLEUFOQSBGY-UHFFFAOYSA-N |
Boiling Point: | 263.8 °C at 760 mmHg |
Melting Point: | 165-170 °C |
Purity: | > 98.0 % (N) |
Density: | 1.47 g/cm3 |
Solubility: | 11.9 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Red solid |
Storage: | 2-8 °C |
MDL: | MFCD00003148 |
LogP: | 1.13500 |
Publication Number | Title | Priority Date |
CN-113311080-A | Joint detection method for multiple vitamin D metabolites, detection kit and application thereof | 20210510 |
CN-113004321-A | Method for desymmetrizing 3-substituted cyclobutanone, cyclobutene compound and application thereof | 20210311 |
CN-112903855-A | Method for quantitatively detecting derivatized vitamin K1 by high performance liquid chromatography-tandem mass spectrometry | 20210122 |
CN-111879876-A | Rapid and sensitive analysis method for 25 hydroxyvitamin D based on immune mass spectrometry technology | 20200807 |
CN-111909993-A | Molecular probe of isoprene modified biomolecule and application thereof | 20200727 |
PMID | Publication Date | Title | Journal |
23074015 | 20121105 | Dirhodium carboxylates catalyzed enantioselective coupling reactions of α-diazophosphonates, anilines, and electron-deficient aldehydes | Angewandte Chemie (International ed. in English) |
22577963 | 20120619 | The combined C-H functionalization/Cope rearrangement: discovery and applications in organic synthesis | Accounts of chemical research |
22434782 | 20120601 | Gold catalysis: one-pot alkylideneoxazoline synthesis/Alder-ene reaction | Chemistry, an Asian journal |
22441200 | 20120501 | A rapid analytical method for cholecalciferol (vitamin D3) in fortified infant formula, milk and milk powder using Diels-Alder derivatisation and liquid chromatography-tandem mass spectrometric detection | Analytical and bioanalytical chemistry |
22367242 | 20120401 | Diels-Alder derivatization for sensitive detection and characterization of conjugated linoleic acids using LC/ESI-MS/MS | Analytical and bioanalytical chemistry |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.038176411 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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