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579920

3-(Bromoacetyl)coumarin

97%

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About This Item

Empirical Formula (Hill Notation):
C11H7BrO3
CAS Number:
29310-88-1
Molecular Weight:
267.08
NACRES:
NA.22
PubChem Substance ID:
24881020
UNSPSC Code:
12352100
MDL number:
MFCD00488331
Assay:
97%
Form:
solid
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Quality Segment

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

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Codes

H302,H318

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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