4-Chlorophenylacetic acid
- Product Name4-Chlorophenylacetic acid
- CAS1878-66-6
- MFC8H7ClO2
- MW170.59
- EINECS217-521-6
- MOL File1878-66-6.mol
Chemical Properties
| Melting point | 102-105 °C(lit.) |
| Boiling point | 241.44°C (rough estimate) |
| Density | 1.2315 (rough estimate) |
| refractive index | 1.5660 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | ethanol: soluble100mg/mL, clear, faintly yellow |
| form | Powder |
| pka | 4.19(at 25℃) |
| color | White to cream |
| PH | 2.5-3 (100g/l, H2O, 20℃)suspension |
| BRN | 1072816 |
| InChI | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | CDPKJZJVTHSESZ-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(Cl)C=C1 |
| CAS DataBase Reference | 1878-66-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, p-chlorophenyl-(1878-66-6) |
| EPA Substance Registry System | p-Chlorophenylacetic acid (1878-66-6) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21-36/37/38 |
| Safety Statements | 36/37-24/25-36-26 |
| WGK Germany | 3 |
| RTECS | AG0590000 |
| F | 13 |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Eye Irrit. 2 Skin Irrit. 2 |
| Toxicity | mouse,LD50,intraperitoneal,1350mg/kg (1350mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958. |
