4-Chloromandelic acid
- Product Name4-Chloromandelic acid
- CAS492-86-4
- CBNumberCB8710158
- MFC8H7ClO3
- MW186.59
- EINECS207-764-6
- MDL NumberMFCD00042724
- MOL File492-86-4.mol
- MSDS FileSDS
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) |
| UNSPSC Code | 12352106 |
| NACRES | NA.21 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| 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 | |||||||||
| NFPA 704: |
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