| Phenylpropiolic acid Basic information |
| Product Name: | Phenylpropiolic acid |
| Synonyms: | 3-Phenylpropargylic acid;Benzenepropiolic acid;Phenylpropiolic acid,97%;Phenylpropiolic acid ,96%;Phenylpropiolic acid, 97% 5GR;3-phenyl-2-propynoate;PHENYLPROPIOLIC ACID CRYSTALLINE;Phenylpropiolic acid, 98+% |
| CAS: | 637-44-5 |
| MF: | C9H6O2 |
| MW: | 146.14 |
| EINECS: | 211-285-8 |
| Product Categories: | Building Blocks;C9;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Aromatic Propionic Acids;Acetylenes;Acetylenic Alcohols & Their Derivatives;Diyne Compounds (LB Films);Functional Materials;LB Films;Acetylenic Carboxylic Acids & Their Derivatives |
| Mol File: | 637-44-5.mol |
| Phenylpropiolic acid Chemical Properties |
| Melting point | 135-137 °C (lit.) |
| Boiling point | 225.74°C (rough estimate) |
| density | 1.1674 (rough estimate) |
| refractive index | 1.5550 (estimate) |
| storage temp. | 2-8°C |
| form | Fine Crystalline Powder |
| pka | pK1:2.269 (35°C) |
| color | White to slightly beige |
| Water Solubility | freely soluble |
| BRN | 742587 |
| InChIKey | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| CAS DataBase Reference | 637-44-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenylpropiolic acid(637-44-5) |
| EPA Substance Registry System | 2-Propynoic acid, 3-phenyl- (637-44-5) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-24/25 |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| MSDS Information |
| Provider | Language |
|---|---|
| Phenylpropiolic acid | English |
| ACROS | English |
| SigmaAldrich | English |
| ALFA | English |
| Phenylpropiolic acid Usage And Synthesis |
| Chemical Properties | WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER |
| Uses | Phenylpropiolic Acid is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design. |
| Definition | ChEBI: An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. |
| Purification Methods | Crystallise the acid from *benzene, CCl4 (m 136o) or aqueous EtOH. The S-benzylisothiuronium salt has m 184-186o (from EtOH). [Beilstein 9 II 436, 9 III 3061, 9 IV 2327.] |
| Phenylpropiolic acid Preparation Products And Raw materials |
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