4-Biphenylacetic acid
- Product Name4-Biphenylacetic acid
- CAS5728-52-9
- CBNumberCB0186272
- MFC14H12O2
- MW212.24
- EINECS227-233-2
- MDL NumberMFCD00004351
- MOL File5728-52-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 159-160 °C (lit.) |
| Boiling point | 312.08°C (rough estimate) |
| Density | 1.1035 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble50mg/mL, clear, colorless to yellow |
| pka | 4.29±0.10(Predicted) |
| form | Powder |
| color | Beige |
| Water Solubility | 39.27mg/L(25 ºC) |
| Merck | 14,3316 |
| BRN | 1211592 |
| InChI | InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16) |
| InChIKey | QRZAKQDHEVVFRX-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)=CC=C(CC(O)=O)C=C1 |
| CAS DataBase Reference | 5728-52-9(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 94WNJ5U8L7 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H301+H331-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P301+P310-P302+P352-P304+P340+P311-P305+P351+P338 | |||||||||
| Hazard Codes | T,Xn | |||||||||
| Risk Statements | 23/25-36/37/38-25-36/37/38/63-20/21/22 | |||||||||
| Safety Statements | 26-36/37/39-45-37/39-28A-26/36/3745/60-20-36 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DU8229050 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29163900 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects | |||||||||
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| Toxicity | LD50 orally in rats: 164 mg/kg (Sloboda, Osterberg) | |||||||||
| NFPA 704: |
|
