HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-2-hydroxypyridine
5-BROMOPYRIDIN-2-OL · 5-BROMO-2(1H)-PYRIDONE · 5-BROMO-2-HYDROXYPYRIDINE · 5-BROMO-2-PYRIDONE · 5-BROMO-2-PYRIDINOL · 5-Bromopyridin-2-one · 5-BroMo-1H-pyridin-2-one · 5-BROMO-2(1H)-PYRIDINONE
Identifiers & Physical Properties
| CAS No. | 13466-38-1 |
|---|---|
| Molecular formula | C5H4BrNO |
| Average molar mass | 174 g/mol |
| Monoisotopic mass | 172.94762585 g/mol |
| SMILES | O=c1ccc(Br)c[nH]1 |
| InChIKey | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
| PubChem CID | 599528 |
| ChEMBL | CHEMBL1362250 |
| EC No. | 629-311-5 |
| DTXSID | DTXSID80344792 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 171 |
| Melting point | 180-183 °C(lit.) |
| Boiling point | 305.9±42.0 °C(Predicted) |
| Density | 1.776±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 9.96±0.10(Predicted) |
| Physical state | Crystalline Powder |
| Color | Off-white to yellow-brown |
| BRN | 108751 |
| InChI | InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8) |
| InChIKey | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=C(Br)C=C1 |
| CAS DataBase Reference | 13466-38-1(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-36-22 |
| Safety statements (S) | 26-37/39-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38-36-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-37/39-36 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
5-Bromopyridin-2-ol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
General Description
5-Bromo-2(1H)-pyridone undergoes difluormethylation in the presence of sodium chlorodifluoroacetate (ClCF2COONa) and methyl cyanide.