Gallacetophenone - CAS 528-21-2
Catalog: |
BB027957 |
Product Name: |
Gallacetophenone |
CAS: |
528-21-2 |
Synonyms: |
1-(2,3,4-trihydroxyphenyl)ethanone |
IUPAC Name: | 1-(2,3,4-trihydroxyphenyl)ethanone |
Description: | Gallacetophenone (CAS# 528-21-2) is used as a reagent in the synthesis of chromenone and quinolinone derivatives as potent antioxidant agents. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | CC(=O)C1=C(C(=C(C=C1)O)O)O |
InChI: | InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3 |
InChI Key: | XIROXSOOOAZHLL-UHFFFAOYSA-N |
Boiling Point: | 398.1 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.446 g/cm3 |
Appearance: | Yellow to yellow-green crystalline powder |
MDL: | MFCD00002193 |
LogP: | 1.00600 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111643490-A | Pharmaceutical composition with maltose hydrolase inhibition activity and application thereof | 20200611 |
KR-20210115315-A | Composition for skin whitening comprising gallacetophenone | 20200312 |
JP-2021138905-A | glue | 20200302 |
KR-20210079217-A | Phenol foam method of producing the same and insulating material | 20191219 |
KR-20210053084-A | Polycarbonate resin composition and molded articles thereof | 20191101 |
PMID | Publication Date | Title | Journal |
20812226 | 20100901 | Synthesis and antioxidant activity of new pyridines containing gallate moieties | Archiv der Pharmazie |
18262415 | 20080301 | Pyrogallol and its analogs can antagonize bacterial quorum sensing in Vibrio harveyi | Bioorganic & medicinal chemistry letters |
17400458 | 20070601 | Polyphenols based on isoflavones as inhibitors of Helicobacter pylori urease | Bioorganic & medicinal chemistry |
15852870 | 20050201 | [Synthesis of 2,3,4-trihydroxyacetophenone hydrazones and study on their spectral properties] | Guang pu xue yu guang pu fen xi = Guang pu |
14609132 | 20031001 | Inhibition of inducible nitric oxide synthase and cyclooxygenase-2 activity by 1,2,3,4,6-penta-O-galloyl-beta-D-glucose in murine macrophage cells | Archives of pharmacal research |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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