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Merck
CN

701327

Sigma-Aldrich

3-Formyl-1H-indole-5-carbonitrile

97%

Synonym(s):

3-Formyl-5-cyano-1H-indole, 5-Cyanoindole-3-carboxaldehyde

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About This Item

Empirical Formula (Hill Notation):
C10H6N2O
CAS Number:
17380-18-6
Molecular Weight:
170.17
MDL number:
MFCD01719101
UNSPSC Code:
12352100
PubChem Substance ID:
329762282
NACRES:
NA.22

Key Documents

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Assay

97%

form

powder

mp

248-253 °C

functional group

aldehyde
nitrile

SMILES string

O=Cc1c[nH]c2ccc(cc12)C#N

InChI

1S/C10H6N2O/c11-4-7-1-2-10-9(3-7)8(6-13)5-12-10/h1-3,5-6,12H

InChI key

NVBCFOQYDFKXJJ-UHFFFAOYSA-N

Application

  • Reactant for synthesis of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators
  • Reactant for enantioselective preparation of antifungal agents
  • Reactant for synthesis of indole- and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1
  • Reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents
  • Reactant for preparation of indolecarboxamide derivatives as antitumor agents
  • Reactant for synthesis of a selective serotonin reuptake inhibitor

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

13 - Non 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 Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ0982
05505EJ

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