235202

4-Bromomethyl-7-methoxycoumarin

97%

• Synonym(s): BMC, Br-Mmc
• Empirical Formula (Hill Notation): C₁₁H₉BrO₃
• CAS Number: 35231-44-8
• Molecular Weight: 269.09
• Beilstein: 187211
• EC Number: 252-448-3
• MDL number: MFCD00006869
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854087
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• mp: 213-215 °C (lit.)
• solubility: chloroform: soluble 20 mg/mL, clear, colorless to faintly yellow
• fluorescence: λ_ex 322 nm; λ_em 395 nm (after derivatization)
• SMILES string: COc1ccc2C(CBr)=CC(=O)Oc2c1
• 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

Description

Application

4-Bromomethyl-7-methoxycoumarin has been used:

• as derivatization reagent in determination of 5-fluorouracil (5-FU) in human plasma by HPLC-tandem mass spectrometry
• as derivatization reagent in fluorescence detection of sodium monofluoroacetate (MFA-Na) in biological samples by HPLC
• in the synthesis of new caged derivatives of hydrolysis-resistant 8-bromoadenosine cyclic 3′,5′-monophosphate (8-Br-cAMP) and 8-bromoguanosine cyclic 3′,5′-monophosphate (8-Br-cGMP)
• in TLC and HPLC separation and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B₂

Fluorescent label for fatty acids.

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