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Safety Information

632406

Sigma-Aldrich

Indole-6-carboxaldehyde

97%

Synonym(s):

6-Formylindole

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About This Item

Empirical Formula (Hill Notation):
C9H7NO
CAS Number:
1196-70-9
Molecular Weight:
145.16
MDL number:
MFCD02179596
UNSPSC Code:
12352100
PubChem Substance ID:
24882323
NACRES:
NA.22

Assay

97%

form

solid

mp

127-131 °C (lit.)

SMILES string

O=Cc1ccc2cc[nH]c2c1

InChI

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

InChI key

VSPBWOAEHQDXRD-UHFFFAOYSA-N

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
GHS07

Signal Word

Warning

Hazard Statements

H317,H319

Hazard Classifications

Eye Irrit. 2 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

632406-BULK:
632406-250MG:
632406-VAR:
632406-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
BCBL8954V
BCBK4544V
BCBK1673V
BCBK2092V
1431172V

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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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