HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinoxaline-6-carboxylic acid
QUINOXALINE-6-CARBOXYLIC ACID · B3299 · AKOS BBS-00000436 · AKOS BBS-00001971 · TIMTEC-BB SBB000185 · RARECHEM AM LA 0027 · IFLAB-BB F1716-0520 · 6-quinoxalinecarboxylate
Identifiers & Physical Properties
| CAS No. | 6925-00-4 |
|---|---|
| Molecular formula | C9H6N2O2 |
| Average molar mass | 174.16 g/mol |
| Monoisotopic mass | 174.04292744 g/mol |
| SMILES | O=C(O)c1ccc2nccnc2c1 |
| InChIKey | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| PubChem CID | 674813 |
| EC No. | 623-529-4 |
| DTXSID | DTXSID20350155 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 63.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 208 |
| Melting point | 224-229 °C (dec.) |
| Boiling point | 355.1±27.0 °C(Predicted) |
| Density | 1.421±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.22±0.30(Predicted) |
| Color | Light Brown to Dark Brown |
| InChI | InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13) |
| InChIKey | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(C(O)=O)=CC=2)N=CC=1 |
| CAS DataBase Reference | 6925-00-4(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319 |
| GHS precautionary statements | P305+P351+P338 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36 |
| Safety statements (S) | 26 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26 |
| Hazard class | IRRITANTEye Irrit. 2 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H319 |
| GHS precautionary statements | P305+P351+P338 |
Applications & Uses
Uses
6-Quinoxalinecarboxylic Acid is an intermediate used in the production of antiprotozoal agents.