900999

4-Ethynylbenzoic acid

• Synonym(s): 4-Carboxyphenylacetylene
• Empirical Formula (Hill Notation): C₉H₆O₂
• CAS Number: 10602-00-3
• Molecular Weight: 146.14
• MDL number: MFCD00168819
• UNSPSC Code: 12352106
• NACRES: NA.22

Properties

• Assay: ≥90%
• Quality Level: 100
• form: powder or crystals
• mp: 200 °C
• functional group: carboxylic acid
• 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 Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H319
• Precautionary Statements: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable