HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinoline-3-carboxylic acid
QUINOLINE-3-CARBOXYLIC ACID · AKOS BBS-00005333 · 3-Carboxyquinoline. · RARECHEM AL BO 1256 · 3-QUINOLINECARBOXYLIC ACID · 3-Quinolinecarboxylic acid 98% · 3-Quinolinecarboxylic acid,98% · 3-Quinolinecarboxylic Acid >Quinoline-3-carboxylic acid 97%
Identifiers & Physical Properties
| CAS No. | 6480-68-8 |
|---|---|
| Molecular formula | C10H7NO2 |
| Average molar mass | 173.17 g/mol |
| Monoisotopic mass | 173.04767846 g/mol |
| SMILES | O=C(O)c1cnc2ccccc2c1 |
| InChIKey | DJXNJVFEFSWHLY-UHFFFAOYSA-N |
| PubChem CID | 80971 |
| ChEMBL | CHEMBL275098 |
| EC No. | 229-337-3 |
| DTXSID | DTXSID90215101 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 50.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 205 |
| Melting point | 277-280 °C (lit.) |
| Boiling point | 303.81°C (rough estimate) |
| Density | 1.2427 (rough estimate) |
| Refractive index | 1.5200 (estimate) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Powder |
| pKa (acidity coefficient) | 2.20±0.30(Predicted) |
| Color | White to slightly beige |
| BRN | 126542 |
| InChI | InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13) |
| InChIKey | DJXNJVFEFSWHLY-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C=C(C(O)=O)C=1 |
| CAS DataBase Reference | 6480-68-8(CAS DataBase Reference) |
| FDA UNII | D98JB7TM7H |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-36/38 |
| Safety statements (S) | 22-24/25-37/39-26-37 |
| Water hazard class (WGK) | 3 |
| Customs code | 29334900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29334900 |
| Risk statements (R) | 36/37/38-36/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 22-24/25-37/39-26-37 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
A quinoline derivative with antimicrobial activity.
General Description
The antibacterial activity of 3-quinolinecarboxylic acid derivatives were evaluated.