Chemical Property of Benz[cd]indol-2(1H)-one
Chemical Property:
- Appearance/Colour:light yellow powder
- Vapor Pressure:0.0521mmHg at 25°C
- Melting Point:173-178 °C(lit.)
- Refractive Index:1.723
- Boiling Point:234.7 °C at 760 mmHg
- PKA:13.27±0.20(Predicted)
- Flash Point:128.9 °C
- PSA：32.86000
- Density:1.327 g/cm3
- LogP:2.11910
- Storage Temp.:Sealed in dry,Room Temperature
- Solubility.:methanol: soluble25mg/mL, clear to slightly hazy, yellow to brow
- XLogP3:2.1
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:1
- Rotatable Bond Count:0
- Exact Mass:169.052763847
- Heavy Atom Count:13
- Complexity:238
- Purity/Quality:
-
99% *data from raw suppliers
Benzo[cd]indol-2(1H)-one >97.0%(HPLC)(N) *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn
- Statements:
22
- Safety Statements:
24/25
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC2=C3C(=C1)C(=O)NC3=CC=C2
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Uses
? ;Reactant in photo-Fries rearrangement1? ;Reactant in preparation of potential antitumor agents2? ;Reactant in synthesis of inhibitors of thymidylate synthase3 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.
