HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Bromopyridine
4-BROMOPYRIDINE · 4-bromo-pyridin · 3-IODOPYRIDINE 7 · Pyridine, 4-bromo- · 1-Bromo-4-azabenzene · Tedizolid Impurity 79

Identifiers & Physical Properties
| CAS No. | 1120-87-2 |
|---|---|
| Molecular formula | C5H4BrN |
| Average molar mass | 158 g/mol |
| Monoisotopic mass | 156.95271123 g/mol |
| SMILES | Brc1ccncc1 |
| InChIKey | BSDGZUDFPKIYQG-UHFFFAOYSA-N |
| PubChem CID | 14268 |
| ChEMBL | CHEMBL325044 |
| ChEBI | CHEBI:51576 |
| EC No. | 214-320-5 |
| DTXSID | DTXSID1061520 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 50 |
| SpringerMaterials Properties | Molecular structure |
| LogP (partition coefficient) | 1.49 |
| Melting point | 53-56 °C(lit.) |
| Boiling point | 183°C (rough estimate) |
| Density | 1.6450 |
| Refractive index | 1.5694 (estimate) |
| Flash point | 224 °F |
| pKa (acidity coefficient) | 3.35±0.10(Predicted) |
| InChI | InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H |
| InChIKey | BSDGZUDFPKIYQG-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(Br)=C1 |
| CAS DataBase Reference | 1120-87-2(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Bromopyridine (1120-87-2) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| TSCA inventory status | TSCA listed |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
4-Bromopyridine is a heterocyclic organic compound and can be used as an organic intermediate.