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About This Item
Linear Formula:
C6H3BrC4H3O2CN
CAS Number:
Molecular Weight:
264.07
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.
Assay
97%
form
solid
mp
186-190 °C (lit.)
SMILES string
CC1=C(C#N)C(=O)Oc2ccc(Br)cc12
InChI
1S/C11H6BrNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3
InChI key
NPCFOYALAZMRDI-UHFFFAOYSA-N
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.[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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Iodine-mediated one-pot synthesis of 3-cyanocoumarins and 3-cyano-4-methylcoumarins.
Sharma D and Makrandi JK.
J. Serb. Chem. Soc., 79(5), 527-531 (2014)
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