637-44-5
| Name | Phenylpropiolic acid |
| CAS | 637-44-5 |
| EINECS(EC#) | 211-285-8 |
| Molecular Formula | C9H6O2 |
| MDL Number | MFCD00004361 |
| Molecular Weight | 146.14 |
| MOL File | 637-44-5.mol |
Chemical Properties
| Appearance | WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER |
| 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. | 0-6°C |
| form | Fine Crystalline Powder |
| pka | pK1:2.269 (35°C) |
| color | White to slightly beige |
| Water Solubility | freely soluble |
| BRN | 742587 |
| InChI | InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) |
| InChIKey | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C#CC1=CC=CC=C1 |
| CAS DataBase Reference | 637-44-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenylpropiolic acid(637-44-5) |
| EPA Substance Registry System | 637-44-5(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |