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438618 Sigma-Aldrich

3-Cyano-4-methylcoumarin

97%

  • CAS Number 24526-69-0

  • Empirical Formula (Hill Notation) C11H7NO2

  • Molecular Weight 185.18

  •  MDL number MFCD00486386

  •  PubChem Substance ID 24867463

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Coumarins, Heterocyclic Building Blocks
Quality Level   100
assay   97%
mp   192-195 °C (dec.) (lit.)
SMILES string   CC1=C(C#N)C(=O)Oc2ccccc12
InChI   1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3
InChI key   FFBLBFMTKGSSPY-UHFFFAOYSA-N

Description

General description

3-Cyano-4-methylcoumarin is a 3-substituted 4-methylcoumarin derivative. Its structural properties, vibrational frequencies and electronic spectra has been studied by density functional theory (DFT). It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite. Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported.

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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