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3-Indoleacetonitrile

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CAS:771-51-7
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Products Intro: Product Name:indole-3-acetonitrile
CAS:771-51-7
Purity:99% Package:5KG;1KG Remarks:C10H8N2

3-Indoleacetonitrile manufacturers

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  • CAS:771-51-7
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  • 2023-09-01
  • CAS:771-51-7
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3-Indoleacetonitrile Basic information
Product Name:3-Indoleacetonitrile
Synonyms:3-Indolyl-acet;Indole-3-acetonitrile,98%;NSC 523272;INDOLYL-3-ACETONITRILE;INDOLE-3-ACETONITRILE;BETA-INDOLYLACETONITRILE;2-(1H-INDOL-3-YL)ACETONITRILE;(1H-INDOL-3-YL)-ACETONITRILE
CAS:771-51-7
MF:C10H8N2
MW:156.18
EINECS:212-232-1
Product Categories:Indole;Indoles;Simple Indoles;Pyrroles & Indoles;indole derivative;Indoles and derivatives;Pyrroles & Indoles;bc0001
Mol File:771-51-7.mol
3-Indoleacetonitrile Structure
3-Indoleacetonitrile Chemical Properties
Melting point 33-36 °C(lit.)
Boiling point 157-160 °C0.2 mm Hg(lit.)
density 1.1566 (rough estimate)
refractive index 1.6085-1.6105
Fp >230 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Chloroform, DMSO (Slightly), Methanol (Slightly)
pka16.32±0.30(Predicted)
form Liquid
color Clear colorless to yellow
BRN 125488
InChIKeyDMCPFOBLJMLSNX-UHFFFAOYSA-N
CAS DataBase Reference771-51-7(CAS DataBase Reference)
NIST Chemistry Reference1H-Indole-3-acetonitrile(771-51-7)
EPA Substance Registry System1H-Indole-3-acetonitrile (771-51-7)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22
Safety Statements 36/37
RIDADR 3276
WGK Germany 3
RTECS AM0700000
Hazard Note Irritant
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29339990
MSDS Information
ProviderLanguage
3-Indoleacetonitrile English
SigmaAldrich English
ACROS English
ALFA English
3-Indoleacetonitrile Usage And Synthesis
Chemical Propertiesclear yellow-brown to brown liquid after melting
UsesReactant for preparation of:
  • Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
  • Histone deacetylase inhibitors
  • Potential kinase inhibitors
  • Kv7/KCNQ potassium channel activators
  • Kinesin-Specific MKLP-2 Inhibitor
  • Pesticides
  • Potential PET cancer imaging agents
  • Agonists of the Farnesoid X Receptor (FXR) as atherosclerosis treatment
  • Butyrylcholinesterase inhibitors
  • Necroptosis inhibitors
DefinitionChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.
Synthesis Reference(s)Canadian Journal of Chemistry, 39, p. 1340, 1961 DOI: 10.1139/v61-169
Journal of the American Chemical Society, 75, p. 3589, 1953 DOI: 10.1021/ja01110a506
General Description3-Indoleacetonitrile (Indolylacetonitrile) is a light-induced auxin-inhibitory substance that is isolated from light-grown cabbage (Brassica olearea L.) shoots. It inhibits the biofilm formation of both E. coli O157:H7 and P. aeruginosa without affecting its growth.
Tag:3-Indoleacetonitrile(771-51-7) Related Product Information
Indole-3-acetic acid Indometacin Indole-3-butyric acid Iminodiacetonitrile Indole-3-carbinol Indol-1-yl-acetic acid Indole-6-boronic acid 3-(1H-Indol-3-yl)-propan-1-ol 3-Indoleacrylic acid Indole-5-carboxylic acid Methyl indole-5-carboxylate Indole-4-carboxylic acid 3-Indolepropionic acid Methyl 1H-indole-7-carboxylate Indole-6-carboxaldehyde Methyl indole-2-carboxylate Methyl indole-4-carboxylate Indole-4-boronic acid