Phenylpropiolic acid
ALDRICH/P31205 - 99%
Synonym: Phenylpropynoic acid
CAS Number: 637-44-5
Empirical Formula (Hill Notation): C9H6O2
Molecular Weight: 146.14
EC Number: 211-285-8
MDL Number: MFCD00004361
Linear Formula: C6H5C≡CCOOH
Product Type: Chemical
| assay | 99% |
| form | crystals |
| InChI | 1S/C9H6O2/c10-9(11)7-6-8- |
| InChI key | XNERWVPQCYSMLC-UHFFFAOYSA |
| mp | 135-137 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | OC(=O)C#Cc1ccccc1 |
| storage temp. | 2-8°C |
| Application: | Phenylpropiolic acid can: • React with 2-tert-butoxypyridine in the presence of boron trifluoride·diethyl etherate to form the corresponding tert-butyl ester. • Undergo decarboxylative coupling with aryl halides such as p-chloroiodobenzene and 1-chloro-4-iodobenzene. • Undergo halodecarboxylation to form 1-haloalkynes. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 135-137 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |


