PRODUCT Properties
| Melting point: | 287-288 |
| Boiling point: | 470.9±25.0 °C(Predicted) |
| Density | 1.838±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| pka | 4.25±0.30(Predicted) |
| form | Solid |
| color | White to Light yellow to Light orange |
| InChI | InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
| InChIKey | YAULOOYNCJDPPU-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(Br)C=C2)C=C1C(O)=O |
| CAS DataBase Reference | 7254-19-5(CAS DataBase Reference) |
Description and Uses
Reactant involved in studies of biologically active molecules including:
- Discovery of indole inhibitors of MMP-13 for treatment of arthritic diseases
- Synthesis of indolyl ethanones as indoleamine 2,3-dioxygenase inhibitors
- cis-Diaminocyclohexane derivatives prepared for use as factor Xa inhibitors
- Synthesis of tubulin polymerization inhibitors and cancer cell growth inhibitors
- Preparation of dual PPARγ/δ agonists
- Synthesis of chemical probes to examine the role of hFPRL1 receptor in inflammation
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H335-H315-H319 |
| 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 |
| Safety Statements | 26-37/39-36/37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339980 |
