HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromo-3-pyridinol
2-BROMOPYRIDIN-3-OL · 2-BROMO-3-PYRIDINOL · 2-bromo-3-pyridino · 2-Bromo-3-pyridine · 2-Brompyridin-3-ol · TIMTEC-BB SBB003805 · 3-PYRIDINOL, 2-BROMO- · LABOTEST-BB LT01143272
Identifiers & Physical Properties
| CAS No. | 6602-32-0 |
|---|---|
| Molecular formula | C5H4BrNO |
| Average molar mass | 174 g/mol |
| Monoisotopic mass | 172.94763 g/mol |
| SMILES | Oc1cccnc1Br |
| InChIKey | YKHQFTANTNMYPP-UHFFFAOYSA-N |
| PubChem CID | 23070 |
| EC No. | 229-547-5 |
| DTXSID | DTXSID8022242 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 33.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 78 |
| Physical Description | Off-white powder[Alfa Aesar MSDS] |
| Melting point | 185-188 °C(lit.) |
| Boiling point | 321.7±22.0 °C(Predicted) |
| Density | 1.5643 (rough estimate) |
| Refractive index | 1.5500 (estimate) |
| Storage conditions | Inert atmosphere,Room Temperature |
| pKa (acidity coefficient) | 4.32±0.10(Predicted) |
| Physical state | Crystalline Powder |
| Color | Light brown to gray |
| Solubility | Soluble in alcohol. Insoluble in water. |
| BRN | 109829 |
| InChI | InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H |
| InChIKey | YKHQFTANTNMYPP-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC=CC=C1O |
| CAS DataBase Reference | 6602-32-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 9DAB85H359 |
| NIST Chemistry Reference | 3-Pyridinol, 2-bromo-(6602-32-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 26-36-24/25 |
| Water hazard class (WGK) | 3 |
| RTECS number | UU7705000 |
| F | 10 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29333999 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazards summary | Intravenous LD50 (mouse) = 320 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Clopidol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98%) |
| F | 10 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | UU7705000 |
| Customs code | 29333999 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-24/25 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Bromo-3-hydroxypyridine is used to produce 2-bromo-4,6-diiodo-3-pyridinol. It is also used in azo dyes and in the synthesis of pterocellin A by reacting with kojic acid and in synthesis of orelline.