579920

3-(Bromoacetyl)coumarin

97%

• Empirical Formula (Hill Notation): C₁₁H₇BrO₃
• CAS Number: 29310-88-1
• Molecular Weight: 267.08
• MDL number: MFCD00488331
• UNSPSC Code: 12352100
• PubChem Substance ID: 24881020
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• mp: 164-168 °C (lit.)
• functional group: bromo; ester; ketone
• SMILES string: BrCC(=O)C1=Cc2ccccc2OC1=O
• InChI: 1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
• InChI key: NTYOLVNSXVYRTJ-UHFFFAOYSA-N

Description

General description

3-(Bromoacetyl)coumarin can be synthesized via the bromination of 3-acetylcoumarin in chloroform.

Application

3-(bromoacetyl)coumarin may be used in the synthesis of the following:

• 3-(bromoacetyl)coumarin oxime via reaction with hydroxylamine hydrochloride in methanol
• 3-(bromoacetyl)coumarin-O-methyloxime via reaction with O-benzylhydroxylammonium chloride/diluted HCl in methanol
• 3-(bromoacetyl)coumarin-O-benzyloxime via reaction with O-benzyl hydroxylamine hydrochloride in methanol
• 3-[2′-(2′′-arylidenehydrazinyl)thiazolyl]coumarins via reaction with benzaldehyde thiosemicarbazones

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H318
• Precautionary Statements: P264 - P270 - P280 - P301 + P312 - P305 + P351 + P338 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1
• 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