HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Bromoquinolin-2(1H)-one
6-BROMOQUINOLIN-2(1H)-ONE · 6-bromoquinolin-2-ol · 6-BROMO-2-QUINOLONE · 6-BroMo-1H-quinolin-2-one · 2-Hydroxy-6-bromoquinoline · P-524 · 109404 · 6-Bromocarbostyril
Identifiers & Physical Properties
| CAS No. | 1810-66-8 |
|---|---|
| Molecular formula | C9H6BrNO |
| Average molar mass | 224.05 g/mol |
| Monoisotopic mass | 222.96327591 g/mol |
| SMILES | O=c1ccc2cc(Br)ccc2[nH]1 |
| InChIKey | YLAFBGATSQRSTB-UHFFFAOYSA-N |
| PubChem CID | 12378943 |
| ChEBI | CHEBI:231294 |
| EC No. | 803-149-7 |
| DTXSID | DTXSID80495319 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 227 |
| Melting point | 278-280C |
| Boiling point | 393.8±42.0 °C(Predicted) |
| Density | 1.620±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO |
| pKa (acidity coefficient) | 10.76±0.70(Predicted) |
| Physical state | Solid |
| Color | Beige |
| InChI | InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12) |
| InChIKey | YLAFBGATSQRSTB-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(Br)C=C2)C=CC1=O |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H318 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 22-41 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
| Customs code | 2933499090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| Water hazard class (WGK) | 3 |
| Customs code | 2933499090 |
| Risk statements (R) | 22-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H318 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P501 |
Applications & Uses
Uses
6-Bromo-2(1H)-quinolinone is a useful intermediate for the synthesis of other quinoline derivatives.