4-(Bromomethyl)-7-methoxycoumarin - CAS 35231-44-8
Catalog: |
BB022538 |
Product Name: |
4-(Bromomethyl)-7-methoxycoumarin |
CAS: |
35231-44-8 |
Synonyms: |
4-(bromomethyl)-7-methoxy-1-benzopyran-2-one; 4-(bromomethyl)-7-methoxychromen-2-one |
IUPAC Name: | 4-(bromomethyl)-7-methoxychromen-2-one |
Description: | Used for derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2. |
Molecular Weight: | 269.09 |
Molecular Formula: | C11H9BrO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=CC(=O)O2)CBr |
InChI: | InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3 |
InChI Key: | CTENSLORRMFPDH-UHFFFAOYSA-N |
Boiling Point: | 385.3 °C at 760 mmHg |
Density: | 1.552 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00006869 |
LogP: | 2.69650 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102624-A1 | Dna-cage erasable labels for fluorescence-based pathology | 20181115 |
JP-2020070436-A | Composition, solder resist composition, cured product and method for producing cured product | 20181025 |
CN-111094256-A | Compound, latent ultraviolet absorber, composition, cured product, and method for producing cured product | 20171005 |
KR-20200064029-A | Compound, latent ultraviolet absorber, composition, cured product and method for producing cured product | 20171005 |
TW-201922717-A | Method for producing compound, latent ultraviolet absorber, composition, cured product and cured product | 20171005 |
PMID | Publication Date | Title | Journal |
22615909 | 20120101 | Examining the interactome of huperzine A by magnetic biopanning | PloS one |
20138454 | 20100801 | Determination of tegafur, 5-fluorouracil, gimeracil and oxonic acid in human plasma using liquid chromatography-tandem mass spectrometry | Journal of pharmaceutical and biomedical analysis |
18585211 | 20080615 | Simultaneous determination of 6-methylcoumarin and 7-methoxycoumarin in cosmetics using three-dimensional excitation-emission matrix fluorescence coupled with second-order calibration methods | Talanta |
18371891 | 20080415 | A new method for the HPLC determination of gamma-hydroxybutyric acid (GHB) following derivatization with a coumarin analogue and fluorescence detection: application in the analysis of biological fluids | Talanta |
17725866 | 20070801 | Determination of sodium monofluoroacetate (1080) in biological samples as its 4-bromomethyl-7-methoxycoumarin derivative by RP-HPLC | Journal of chromatographic science |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.97351 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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