4-Bromomandelic acid
- Product Name4-Bromomandelic acid
- CAS6940-50-7
- CBNumberCB6466255
- MFC8H7BrO3
- MW231.05
- EINECS230-085-1
- MDL NumberMFCD00004232
- MOL File6940-50-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 116-118 °C(lit.) |
| Boiling point | 397.5±27.0 °C(Predicted) |
| Density | 1.6494 (rough estimate) |
| refractive index | 1.4730 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.14±0.10(Predicted) |
| form | Crystalline Powder or Flakes |
| color | White to beige |
| Water Solubility | Slightly soluble in water. |
| Merck | 14,1424 |
| BRN | 1567909 |
| InChI | 1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
| InChIKey | BHZBRPQOYFDTAB-UHFFFAOYSA-N |
| SMILES | OC(C(O)=O)c1ccc(Br)cc1 |
| CAS DataBase Reference | 6940-50-7(CAS DataBase Reference) |
| FDA UNII | 4429SL694F |
| NIST Chemistry Reference | 4-Bromomandelic acid(6940-50-7) |
| EPA Substance Registry System | Benzeneacetic acid, 4-bromo-.alpha.-hydroxy- (6940-50-7) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29181980 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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