301450

4-Bromomethyl-6,7-dimethoxycoumarin

96%

• Empirical Formula (Hill Notation): C₁₂H₁₁BrO₄
• CAS Number: 88404-25-5
• Molecular Weight: 299.12
• Beilstein: 4750487
• MDL number: MFCD00011570
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858188
• NACRES: NA.22

Properties

• Assay: 96%
• mp: 212-216 °C (lit.)
• fluorescence: λ_ex 322; λ_em 395 (Reaction product with acetic acid); λ_ex 354 nm; λ_em 435 nm in methanol
• functional group: bromo; ester
• SMILES string: COc1cc2OC(=O)C=C(CBr)c2cc1OC
• InChI: 1S/C12H11BrO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3
• InChI key: JGODLBJJCNQFII-UHFFFAOYSA-N

Description

Application

4-Bromomethyl-6,7-dimethoxycoumarin was used as fluorescent labeling reagent for the reversed-phase HPLC separation and detection of carboxylic acids. It was also used as derivatization reagent:

• for quantitation of clofibric, bezafibric and fenofibric acids in liver by liquid chromatography
• in determination of the concentration of tripeptide glutathione by matrix-assisted laser desorption ionization time-of-flight mass spectrometry
• for determination of carboxylic acids in chromatographic detection

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315,H319,H335
• Precautionary Statements: P261 - P264 - P270 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves