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29310-88-1

29310-88-1 Structure

29310-88-1 Structure
IdentificationMore
[Name]

(3-BROMOACETYL)COUMARIN
[CAS]

29310-88-1
[Synonyms]

3-(BROMOACETYL)-2H-CHROMEN-2-ONE
(3-BROMOACETYL)COUMARIN
3-(OMEGA-BROMOACETYL)COUMARIN
AKOS BBS-00004732
RARECHEM AB KA K003
TIMTEC-BB SBB006443
3-w-Bromoacetylcoumarin
3-(2-Bromoacetyl)-2H-chromen-2-one
[Molecular Formula]

C11H7BrO3
[MDL Number]

MFCD00488331
[Molecular Weight]

267.08
[MOL File]

29310-88-1.mol
Chemical PropertiesBack Directory
[Melting point ]

164-168 °C (lit.)
[Boiling point ]

424.6±45.0 °C(Predicted)
[density ]

1.674±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[color ]

White to Orange to Green
[λmax]

363nm(MeOH)(lit.)
[InChI]

1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
[InChIKey]

NTYOLVNSXVYRTJ-UHFFFAOYSA-N
[SMILES]

BrCC(=O)C1=Cc2ccccc2OC1=O
[CAS DataBase Reference]

29310-88-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2932209090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Hazard InformationBack Directory
[Uses]

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
[General Description]

3-(Bromoacetyl)coumarin can be synthesized via the bromination of 3-acetylcoumarin in chloroform.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

29310-88-1(sigmaaldrich)
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