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336467

Benz[cd]indol-2(1H)-one

technical grade

Synonym(s):

NSC 25094

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About This Item

Empirical Formula (Hill Notation):
C11H7NO
CAS Number:
130-00-7
Molecular Weight:
169.18
NACRES:
NA.22
PubChem Substance ID:
24860382
UNSPSC Code:
12352100
EC Number:
204-973-4
MDL number:
MFCD00009748
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grade

technical grade

form

solid

mp

173-178 °C (lit.)

solubility

methanol: soluble 25 mg/mL, clear to slightly hazy, yellow to brown

SMILES string

O=C1Nc2cccc3cccc1c23

InChI

1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)

InChI key

GPYLCFQEKPUWLD-UHFFFAOYSA-N

General description

Benz[cd]indol-2(1H)-one is also referred as naphtholactam.

Application

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.
  • Reactant in photo-Fries rearrangement
  • Reactant in preparation of potential antitumor agents
  • Reactant in synthesis of inhibitors of thymidylate synthase

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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