4-(Bromomethyl)-7-methoxycoumarin - CAS 35231-44-8

Name: 4-(Bromomethyl)-7-methoxycoumarin
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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