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Merck
CN

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

Key Documents

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Product Name

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

form

solid

InChI key

GPYLCFQEKPUWLD-UHFFFAOYSA-N

InChI

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

SMILES string

O=C1Nc2cccc3cccc1c23

grade

technical grade

mp

173-178 °C (lit.)

solubility

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

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Application

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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ0016
04518JJ
05806HH
14206CH
05317AE

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Saeed I Khan et al.
Acta crystallographica. Section C, Crystal structure communications, 68(Pt 1), o1-o6 (2012-01-10)
Weakly diffracting crystals of benz[cd]indol-2(1H)-one (naphtholactam), C(11)H(7)NO, were unsuitable for data collection by early photographic methods. However, a diffractometer data set collected at room temperature in 1989 was solved and refined. The peak scans were broad, and the results indicated
Lan Chen et al.
ACS medicinal chemistry letters, 1(7), 355-359 (2010-12-01)
Mycobacterium protein tyrosine phosphatase B (mPTPB) is an essential virulence factor required for Mycobacterium tuberculosis (Mtb) survival in host macrophages. Consequently, mPTPB represents an exciting new target with a completely novel mechanism of action. We screened a library of 7,500

Articles

Fries Rearrangement

Quantum dots (QDs): Semiconductor nanoparticles with diverse applications including displays, lighting, and biomedical imaging.

Fries重排

Fries重排反应是一类重要的有机人名反应，它涉及在催化剂存在下加热时将酚酯转化成邻位或对位酰基酚。

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