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HomeProduct name listBenz[cd]indol-2(1H)-one

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

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)
ghs
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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