2',4'-Dihydroxyacetophenone - CAS 89-84-9
Catalog: |
BB039630 |
Product Name: |
2',4'-Dihydroxyacetophenone |
CAS: |
89-84-9 |
Synonyms: |
1-(2,4-dihydroxyphenyl)ethanone |
Application: |
intermediate of ethoxy flavonoids for Coronary heart disease medicine |
IUPAC Name: | 1-(2,4-dihydroxyphenyl)ethanone |
Description: | 2,4-Dihydroxyacetophenone isolated from the root of Paeonia moutan Sim. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)O)O |
InChI: | InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 |
InChI Key: | SULYEHHGGXARJS-UHFFFAOYSA-N |
Boiling Point: | 319.3 °C at 760 mmHg |
Melting Point: | 143-147°C |
Flash Point: | 161.1°C |
Purity: | 99 % |
Density: | 1.18 g/mL at 25 °C (lit.) |
Appearance: | Powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002279 |
LogP: | 1.30040 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.56467 (141.1°C) |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22858158 | 20130101 | Aqueous ionic liquid based ultrasonic assisted extraction of four acetophenones from the Chinese medicinal plant Cynanchum bungei Decne | Ultrasonics sonochemistry |
22899510 | 20120801 | Application of high-resolution ESI and MALDI mass spectrometry to metabolite profiling of small interfering RNA duplex | Journal of mass spectrometry : JMS |
22553053 | 20120301 | Neuroprotective compounds isolated from Cynanchum paniculatum | Archives of pharmacal research |
22210026 | 20111201 | Chemical constituents of Cynanchum wilfordii and the chemotaxonomy of two species of the family Asclepiadacease, C. wilfordii and C. auriculatum | Archives of pharmacal research |
21922916 | 20110801 | Bioactive metabolites from biotransformation of paeonol by the white-rot basidiomycete Coriolus versicolor | Natural product communications |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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