900999

Sigma-Aldrich

4-Ethynylbenzoic acid

别名:
4-Carboxyphenylacetylene
Empirical Formula (Hill Notation):
C9H6O2
CAS号:
分子量:
146.14
MDL number:
NACRES:
NA.22

Quality Level

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

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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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Synthesis of Glutamic Acid-based Dendritic Helical Poly(phenylacetylene)s.
Hu Y, et al.
Polymer Journal, 40, 143-147 (2008)
Enhanced light harvesting with π-conjugated cyclic aromatic hydrocarbons for porphyrin-sensitized solar cells.
Wang CL, et al.
Energy & Environmental Science, 4, 1788-1795 (2011)

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