Cas no 118573-52-7 (4-hydroxy-1H-Indole-3-acetonitrile)

4-Hydroxy-1H-indole-3-acetonitrile is a heterocyclic organic compound featuring a hydroxyl-substituted indole core with an acetonitrile functional group at the 3-position. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of biologically active molecules. Its reactive nitrile group enables further functionalization, while the hydroxyl group enhances solubility and offers additional modification sites. The compound is valued for its role in constructing indole-based scaffolds, which are prevalent in medicinal chemistry due to their pharmacological relevance. High purity and consistent quality are critical for its effective use in research and industrial applications. Proper handling and storage are recommended to maintain stability.
4-hydroxy-1H-Indole-3-acetonitrile structure
118573-52-7 structure
Product Name:4-hydroxy-1H-Indole-3-acetonitrile
CAS No:118573-52-7
MF:C10H8N2O
MW:172.18332195282
CID:1100885
PubChem ID:11263766
Update Time:2025-05-28

4-hydroxy-1H-Indole-3-acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-hydroxy-1H-Indole-3-acetonitrile
    • 2-(4-hydroxy-1H-indol-3-yl)acetonitrile
    • CHEBI:173467
    • 3-(Cyanomethyl)-4-hydroxyindole
    • DTXSID20460445
    • 118573-52-7
    • 1H-Indole-3-acetonitrile, 4-hydroxy-
    • 4-hydroxy-3-indolacetonitril
    • SCHEMBL22612662
    • EN300-7434905
    • Inchi： 1S/C10H8N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4H2
    • InChI Key： RWBSUCOEZMIDSA-UHFFFAOYSA-N
    • SMILES： OC1=CC=CC2=C1C(CC#N)=CN2

Computed Properties

  • Exact Mass: 172.063662883g/mol
  • Monoisotopic Mass: 172.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 59.8?2

4-hydroxy-1H-Indole-3-acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-7434905-0.05g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
0.05g
 $315.0 2024-05-24
Enamine
EN300-7434905-0.1g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
0.1g
 $470.0 2024-05-24
Enamine
EN300-7434905-0.25g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
0.25g
 $672.0 2024-05-24
Enamine
EN300-7434905-0.5g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
0.5g
 $1058.0 2024-05-24
Enamine
EN300-7434905-1.0g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
1.0g
 $1357.0 2024-05-24
Enamine
EN300-7434905-2.5g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
2.5g
 $2660.0 2024-05-24
Enamine
EN300-7434905-5.0g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
5.0g
 $3935.0 2024-05-24
Enamine
EN300-7434905-10.0g
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
 118573-52-7 95%
10.0g
 $5837.0 2024-05-24
1PlusChem
1P0081IS-50mg
1H-Indole-3-acetonitrile, 4-hydroxy-
 118573-52-7 95%
50mg
 $452.00 2023-12-26
1PlusChem
1P0081IS-100mg
1H-Indole-3-acetonitrile, 4-hydroxy-
 118573-52-7 95%
100mg
 $643.00 2023-12-26

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