Cas no 885522-28-1 (4-Iodo-6-methyl-1H-indole)

4-Iodo-6-methyl-1H-indole is a halogenated indole derivative with a molecular formula of C9H8IN. This compound features an iodine substituent at the 4-position and a methyl group at the 6-position of the indole core, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its structural properties enable selective functionalization, particularly in cross-coupling reactions, such as Suzuki or Sonogashira couplings, due to the reactivity of the iodine moiety. The methyl group enhances steric and electronic effects, influencing regioselectivity in further derivatization. This compound is suitable for applications in medicinal chemistry, agrochemical development, and materials science, where precise modifications of the indole scaffold are required.
4-Iodo-6-methyl-1H-indole structure
4-Iodo-6-methyl-1H-indole structure
Product Name:4-Iodo-6-methyl-1H-indole
CAS No:885522-28-1
MF:C9H8IN
MW:257.070994377136
MDL:MFCD07781519
CID:840658
PubChem ID:10777513
Update Time:2025-06-09

4-Iodo-6-methyl-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 4-Iodo-6-methyl-1H-indole
    • 1H-Indole, 4-iodo-6-Methyl-
    • 4-Iodo-6-methyl indole
    • 4-Iodo-6-methylindole
    • 885522-28-1
    • AKOS022173112
    • SCHEMBL12013109
    • DTXSID20444801
    • DB-184980
    • MDL： MFCD07781519
    • Inchi： 1S/C9H8IN/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
    • InChI Key： ITOSEVMXVPERCO-UHFFFAOYSA-N
    • SMILES： IC1=CC(C)=CC2=C1C=CN2

Computed Properties

  • Exact Mass: 256.97015g/mol
  • Monoisotopic Mass: 256.97015g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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: 3.1
  • Topological Polar Surface Area: 15.8?2

4-Iodo-6-methyl-1H-indole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A199010243-1g
4-Iodo-6-methyl-1H-indole
 885522-28-1 95%
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 $675.80 2023-08-31
Chemenu
CM146808-1g
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 885522-28-1 95%
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 $720 2021-08-05
eNovation Chemicals LLC
Y0997588-5g
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 $2000 2024-08-02
Chemenu
CM146808-1g
4-iodo-6-methyl-1H-indole
 885522-28-1 95%
1g
 $*** 2023-03-31
eNovation Chemicals LLC
Y0997588-5g
4-iodo-6-methylindole
 885522-28-1 95%
5g
 $2000 2025-02-28
eNovation Chemicals LLC
Y0997588-5g
4-iodo-6-methylindole
 885522-28-1 95%
5g
 $2000 2025-02-21

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