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About This Item
Empirical Formula (Hill Notation):
C11H7BrO3
CAS Number:
Molecular Weight:
267.08
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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