6,8-Dibromo-3-formylchromone - CAS 42059-76-7
Catalog: |
BB025025 |
Product Name: |
6,8-Dibromo-3-formylchromone |
CAS: |
42059-76-7 |
Synonyms: |
4H-1-Benzopyran-3-carboxaldehyde, 6,8-dibromo-4-oxo-; 6,8-Dibromo-4-oxo-4H-1-benzopyran-3-carboxaldehyde; 6,8-Dibromochromone-3-carboxaldehyde; 6,8-Dibromo-4-oxo-4H-chromene-3-carbaldehyde; 3-Formyl-6,8-dibromo-4H-1-benzopyran-4-one |
IUPAC Name: | 6,8-dibromo-4-oxochromene-3-carbaldehyde |
Molecular Weight: | 331.94 |
Molecular Formula: | C10H4Br2O3 |
Canonical SMILES: | C1=C(C=C2C(=C1Br)OC=C(C2=O)C=O)Br |
InChI: | InChI=1S/C10H4Br2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H |
InChI Key: | XTEURQCXJDIUCR-UHFFFAOYSA-N |
Boiling Point: | 421.4±45.0°C at 760 mmHg |
Melting Point: | 174-177°C |
Purity: | ≥95% |
Density: | 2.154±0.06 g/cm3 |
Appearance: | Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00191991 |
LogP: | 3.13050 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2532664-A1 | Substituted indolo [2,3-a] quinolizines in the treatment of cancer | 20110609 |
US-2012316192-A1 | Substituted indolo [2,3-a] quinolizines | 20110609 |
EP-1322308-A2 | Devices and methods for management of inflammation | 20001006 |
US-2004115236-A1 | Devices and methods for management of inflammation | 20001006 |
WO-0228366-A2 | Devices and methods for management of inflammation | 20001006 |
PMID | Publication Date | Title | Journal |
19785285 | 20090901 | Identification and characterization of a psychrophilic yeast strain newly isolated from the fermentative starter (Loog-pang) of a traditional drink in Thailand | Biocontrol science |
18019419 | 20070901 | Biological activity of 3-formylchromones and related compounds | In vivo (Athens, Greece) |
12852966 | 20030804 | Formylchromone derivatives as a novel class of protein tyrosine phosphatase 1B inhibitors | Bioorganic & medicinal chemistry letters |
1873 | 19751101 | Hemodynamic effects of aerosol propellants. II. Pulmonary circulation in the dog | Toxicology |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.85067 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.85272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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