Cas no 81725-16-8 (2-iodobenzene-1,3-dicarbonitrile)

2-Iodobenzene-1,3-dicarbonitrile is a versatile aromatic compound featuring both iodine and cyano functional groups on a benzene ring. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings, where the iodine substituent acts as a reactive site. The electron-withdrawing cyano groups enhance the reactivity of the aromatic system, facilitating further functionalization. This compound is also useful in the preparation of heterocyclic frameworks and pharmaceutical building blocks. Its stability and well-defined reactivity profile make it a reliable choice for research and industrial applications in fine chemical and agrochemical synthesis.
2-iodobenzene-1,3-dicarbonitrile structure
81725-16-8 structure
Product Name:2-iodobenzene-1,3-dicarbonitrile
CAS No:81725-16-8
MF:C8H3IN2
MW:254.02729344368
MDL:MFCD21604265
CID:1084342
PubChem ID:12778715
Update Time:2025-10-19

2-iodobenzene-1,3-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Iodoisophthalonitrile
    • 2-iodobenzene-1,3-dicarbonitrile
    • EN300-3250556
    • 81725-16-8
    • Z1416189734
    • SCHEMBL3236721
    • 2-Iodo-1,3-benzenedicarbonitrile
    • DB-409729
    • MDL： MFCD21604265
    • Inchi： 1S/C8H3IN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
    • InChI Key： SPLLRCOCMJCQIW-UHFFFAOYSA-N
    • SMILES： IC1C(C#N)=CC=CC=1C#N

Computed Properties

  • Exact Mass: 253.93410g/mol
  • Monoisotopic Mass: 253.93410g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 207
  • 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: 2
  • Topological Polar Surface Area: 47.6?2

2-iodobenzene-1,3-dicarbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-3250556-1g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
1g
 $743.0 2023-09-04
Enamine
EN300-3250556-5g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
5g
 $2152.0 2023-09-04
Enamine
EN300-3250556-10g
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 81725-16-8 95%
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 $3191.0 2023-09-04
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EN300-3250556-0.05g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
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 $174.0 2023-09-04
Enamine
EN300-3250556-0.1g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
0.1g
 $257.0 2023-09-04
Enamine
EN300-3250556-0.25g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
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 $367.0 2023-09-04
Enamine
EN300-3250556-0.5g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
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 $579.0 2023-09-04
Enamine
EN300-3250556-1.0g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
1.0g
 $743.0 2023-07-06
Enamine
EN300-3250556-2.5g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
2.5g
 $1454.0 2023-09-04
Enamine
EN300-3250556-5.0g
2-iodobenzene-1,3-dicarbonitrile
 81725-16-8 95%
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 $2152.0 2023-07-06

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