HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetylisatin
1-acetylindoline-2,3-dione · acetylisatin · AKOS B029688 · 1-ACETYLISATIN · N-ACETYLISATIN · N-Acetylisatin1 · AKOS BBS-00001021 · 1-Acetylisatin,97%
Identifiers & Physical Properties
| CAS No. | 574-17-4 |
|---|---|
| Molecular formula | C10H7NO3 |
| Average molar mass | 189.17 g/mol |
| Monoisotopic mass | 189.04259309 g/mol |
| SMILES | CC(=O)N1C(=O)C(=O)c2ccccc21 |
| InChIKey | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| PubChem CID | 11321 |
| ChEMBL | CHEMBL223001 |
| ChEBI | CHEBI:16050 |
| EC No. | 209-368-9 |
| DTXSID | DTXSID50205987 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 54.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 310 |
| SpringerMaterials Properties | Chemical shift |
| Melting point | 141-143°C |
| Boiling point | 345.4±25.0 °C(Predicted) |
| Density | 1.413±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -3.44±0.20(Predicted) |
| Color | Light yellow to Yellow to Orange |
| λmax | 272nm(EtOH)(lit.) |
| BRN | 113959 |
| CAS DataBase Reference | 574-17-4(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | V5O1T1H718 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Safety statements (S) | 22-24/25 |
| RTECS number | NL7873800 |
| Customs code | 2933.99.8290 |
| Hazard class | IRRITANT |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| RTECS number | NL7873800 |
| Customs code | 2933.99.8290 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 22-24/25 |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
1-Acetyl-1H-indole-2,3-dione performs an antipyretic action in mice and rats.