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| | Benz[cd]indol-2(1H)-one Basic information |
| | Benz[cd]indol-2(1H)-one Chemical Properties |
| 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) | | InChIKey | GPYLCFQEKPUWLD-UHFFFAOYSA-N | | SMILES | N1C2=C3C(C=CC=C3C1=O)=CC=C2 | | LogP | 2.5 at 24℃ and pH6.6 | | CAS DataBase Reference | 130-00-7(CAS DataBase Reference) | | EPA Substance Registry System | Benz[cd]indol-2(1H)-one (130-00-7) |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 24/25 | | WGK Germany | 2 | | RTECS | DE3202000 | | TSCA | TSCA listed | | HS Code | 29337900 | | Storage Class | 13 - Non Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral | | Toxicity | mammal (species unspecified),LD50,oral,2700mg/kg (2700mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 82, 1986. |
| | Benz[cd]indol-2(1H)-one Usage And Synthesis |
| Uses | • ;Reactant in photo-Fries rearrangement1• ;Reactant in preparation of potential antitumor agents2• ;Reactant in synthesis of inhibitors of thymidylate synthase3 | | Uses | 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. |
| | Benz[cd]indol-2(1H)-one Preparation Products And Raw materials |
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