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900999 Sigma-Aldrich

4-Ethynylbenzoic acid

Synonym: 4-Carboxyphenylacetylene

  • CAS Number 10602-00-3

  • Empirical Formula (Hill Notation) C9H6O2

  • Molecular Weight 146.14

  •  MDL number MFCD00168819

  •  NACRES NA.22

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Properties

Related Categories Alkynes, Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids,
Quality Level   100
assay   ≥90%
form   powder or crystals
mp   200 °C
storage temp.   2-8°C
SMILES string   OC(=O)c1ccc(cc1)C#C
InChI   1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChI key   SJXHLZCPDZPBPW-UHFFFAOYSA-N

Description

Application

4-Ethynylbenzoic acid may be used in the synthesis of N-(4-ethynylphenylcarbonyl) L-glutamic acid diethyl ester, a precursor for synthesizing glutamic acid-based dendritic helical poly(phenylacetylene)s. It can also be used to prepare zinc porphyrins attached to various cyclic aromatic hydrocarbon substituents, which can act as potential photo-sensitizers for dye-sensitized solar cells (DSSCs). This product was previously listed as CBR01612.

Other Notes

Synthesis of glutamic acid-based dendritic helical poly (phenylacetylene)s

Enhanced light harvesting with π-conjugated cyclic aromatic hydrocarbons for porphyrin-sensitized solar cells

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
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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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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