Benz[cd]indol-2(1H)-one
Synonym(s):NSC 25094
- CAS NO.：130-00-7
- Empirical Formula: C11H7NO
- Molecular Weight: 169.18
- MDL number: MFCD00009748
- EINECS: 204-973-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-21 21:50:59
![Benz[cd]indol-2(1H)-one Structural](https://img.chemicalbook.in/CAS/GIF/130-00-7.gif)
What is Benz[cd]indol-2(1H)-one?
The Uses of Benz[cd]indol-2(1H)-one
• ;Reactant in photo-Fries rearrangement1• ;Reactant in preparation of potential antitumor agents2• ;Reactant in synthesis of inhibitors of thymidylate synthase3
The Uses of Benz[cd]indol-2(1H)-one
Benz[cd]indol-2(1H)-one was used in the synthesis of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide analog, novel Mycobacterium protein tyrosine phosphatase B (mPTPB) inhibitor.
General Description
Benz[cd]indol-2(1H)-one is also referred as naphtholactam.
Properties of Benz[cd]indol-2(1H)-one
| Melting point: | 173-178 °C(lit.) |
| Boiling point: | 298.46°C (rough estimate) |
| Density | 1.1616 (rough estimate) |
| vapor pressure | 0.61-7.2Pa at 100-130℃ |
| refractive index | 1.4900 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: soluble25mg/mL, clear to slightly hazy, yellow to brown |
| pka | 13.27±0.20(Predicted) |
| form | Powder |
| color | Light orange to Yellow to Green |
| InChI | InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13) |
| CAS DataBase Reference | 130-00-7(CAS DataBase Reference) |
| EPA Substance Registry System | Benz[cd]indol-2(1H)-one (130-00-7) |
Safety information for Benz[cd]indol-2(1H)-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P501:Dispose of contents/container to..… |
Computed Descriptors for Benz[cd]indol-2(1H)-one
| InChIKey | GPYLCFQEKPUWLD-UHFFFAOYSA-N |
| SMILES | N1C2=C3C(C=CC=C3C1=O)=CC=C2 |
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![2-OXO-1,2-DIHYDRO-BENZO[CD]INDOLE-5,6-DICARBOXYLIC ACID](https://img.chemicalbook.in/StructureFile/ChemBookStructure3/GIF/CB8299958.gif)
![N1-METHYL-N1-(2-OXO-1,2-DIHYDROBENZO[CD]INDOL-4-YL)-4-CHLORO-3-NITROBENZENE-1-SULFONAMIDE](https://img.chemicalbook.in/StructureFile/ChemBookStructure3/GIF/CB6146818.gif)
![1-methylbenzo[cd]indol-2(1H)-one](https://img.chemicalbook.in/CAS/20180711/GIF/1710-20-9.gif)
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