ChemicalBook--->CAS DataBase List--->56394-22-0

56394-22-0

56394-22-0 Structure

56394-22-0 Structure
IdentificationMore
[Name]

6-BROMO-3-CYANO-4-METHYLCOUMARIN
[CAS]

56394-22-0
[Synonyms]

3-CYANO-6-BROMO-4-METHYLCOUMARIN
6-BROMO-3-CYANO-4-METHYLCOUMARIN
6-Bromo-3-cyano-4-methylcoumarin 97%
6-bromo-4-methyl-2-oxochromene-3-carbonitrile
6-BROMO-4-METHYL-2-OXO-2H-CHROMENE-3-CARBONITRILE
6-bromo-4-methyl-2-oxo-1-benzopyran-3-carbonitrile
6-BROMO-3-CYANO-4-METHYLCOUMARIN ISO 9001:2015 REACH
2H-1-Benzopyran-3-carbonitrile, 6-bromo-4-methyl-2-oxo-
JRH-01504, 6-Bromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile, 97%
[EINECS(EC#)]

200-456-2
[Molecular Formula]

C11H6BrNO2
[MDL Number]

MFCD01076359
[Molecular Weight]

264.07
[MOL File]

56394-22-0.mol
Chemical PropertiesBack Directory
[Melting point ]

186-190 °C (lit.)
[Boiling point ]

403.4±45.0 °C(Predicted)
[density ]

1.69±0.1 g/cm3(Predicted)
[form ]

solid
[InChI]

1S/C11H6BrNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3
[InChIKey]

NPCFOYALAZMRDI-UHFFFAOYSA-N
[SMILES]

CC1=C(C#N)C(=O)Oc2ccc(Br)cc12
[CAS DataBase Reference]

56394-22-0(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

6-Bromo-3-cyano-4-methylcoumarin is a 3-cyanocoumarin derivative, which constitutes an important class of heterocycle for preparing methine dyes and bioactive compounds. It can be prepared by reacting 5′-bromo-2′-hydroxyacetophenone with malononitrile in the presence of iodine under microwave or thermal conditions.
[General Description]

6-Bromo-3-cyano-4-methylcoumarin is a 3-cyanocoumarin derivative, which constitutes an important class of heterocycle for preparing methine dyes and bioactive compounds. It can be prepared by reacting 5′-bromo-2′-hydroxyacetophenone with malononitrile in the presence of iodine under microwave or thermal conditions.
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMO-3-CYANO-4-METHYLCOUMARIN(56394-22-0)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

56394-22-0(sigmaaldrich)
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