Phenylmalonic acid
- Product NamePhenylmalonic acid
- CAS2613-89-0
- CBNumberCB1737149
- MFC9H8O4
- MW180.16
- EINECS220-044-6
- MDL NumberMFCD00004253
- MOL File2613-89-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 149-152 °C (dec.)(lit.) |
| Boiling point | 272.96°C (rough estimate) |
| Density | 1.2933 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pK1:2.58;pK2:5.03 (25°C) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | soluble |
| BRN | 2048729 |
| InChI | 1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13) |
| InChIKey | WWYDYZMNFQIYPT-UHFFFAOYSA-N |
| SMILES | OC(=O)C(C(O)=O)c1ccccc1 |
| CAS DataBase Reference | 2613-89-0(CAS DataBase Reference) |
| FDA UNII | 92EX195E1G |
| EPA Substance Registry System | Propanedioic acid, phenyl- (2613-89-0) |
| UNSPSC Code | 12162002 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-41-22 |
| Safety Statements | 26-36-24/25 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2917399590 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
