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Merck
CN

632406

Indole-6-carboxaldehyde

97%

Synonym(s):

6-Formylindole

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About This Item

Empirical Formula (Hill Notation):
C9H7NO
CAS Number:
Molecular Weight:
145.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
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InChI

1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H

SMILES string

O=Cc1ccc2cc[nH]c2c1

InChI key

VSPBWOAEHQDXRD-UHFFFAOYSA-N

assay

97%

form

solid

mp

127-131 °C (lit.)

Application

  • Reactant in preparation of analogs of botulinum neurotoxin serotype A protease inhibitors
  • Reactant in synthesis of stilbene-based antitumor agents
  • Reactant in acid-catalyzed preparation of aromatic gem-dihalides from aldehydes and acid halides

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Niina Tani et al.
Bioorganic & medicinal chemistry, 22(23), 6655-6664 (2014-12-03)
Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by evaluating CYP2A6 inhibitory effect of novel formyl, alkyl amine or carbonitrile

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