4-Chloromandelic acid
- Product Name4-Chloromandelic acid
- CAS492-86-4
- MFC8H7ClO3
- MW186.59
- EINECS207-764-6
- MOL File492-86-4.mol
Chemical Properties
| Melting point | 114-118 °C |
| Boiling point | 266.91°C (rough estimate) |
| Density | 1.3245 (rough estimate) |
| refractive index | 1.5250 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.14±0.10(Predicted) |
| form | Crystalline Powder |
| color | White to light yellow |
| BRN | 1567759 |
| InChI | InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
| InChIKey | BWSFWXSSALIZAU-UHFFFAOYSA-N |
| SMILES | C(C1C=CC(Cl)=CC=1)(O)C(=O)O |
| CAS DataBase Reference | 492-86-4(CAS DataBase Reference) |
| EPA Substance Registry System | Benzeneacetic acid, 4-chloro-.alpha.-hydroxy- (492-86-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 22-24/25-36-26-37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
