2-(4-Chlorophenyl)-3-methylbutyric acid
- Product Name2-(4-Chlorophenyl)-3-methylbutyric acid
- CAS2012-74-0
- MFC11H13ClO2
- MW212.67
- EINECS217-934-1
- MOL File2012-74-0.mol
Chemical Properties
| Melting point | 87-91 °C(lit.) |
| Boiling point | 318.7±17.0 °C(Predicted) |
| Density | 1.184±0.06 g/cm3(Predicted) |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (slightly), DMSO (Slightly) |
| form | powder to crystal |
| pka | 4.13±0.10(Predicted) |
| color | White to Orange to Green |
| InChI | 1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14) |
| InChIKey | VTJMSIIXXKNIDJ-UHFFFAOYSA-N |
| SMILES | CC(C)C(C(O)=O)c1ccc(Cl)cc1 |
| CAS DataBase Reference | 2012-74-0(CAS DataBase Reference) |
| EPA Substance Registry System | Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)- (2012-74-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | ES8450000 |
| TSCA | TSCA listed |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |