Cas no 19099-54-8 (2-Iodocumene)

2-Iodocumene (CAS 1129-73-9) is an aromatic organic compound featuring an iodine substituent on the isopropylbenzene (cumene) framework. This halogenated derivative serves as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Negishi couplings, where its iodine moiety facilitates efficient bond formation. Its stability and reactivity make it valuable for constructing complex molecular architectures in pharmaceuticals, agrochemicals, and materials science. The compound’s well-defined structure and compatibility with palladium-catalyzed transformations enhance its utility in precision synthesis. Proper handling under inert conditions is recommended due to sensitivity to light and moisture.
2-Iodocumene structure
2-Iodocumene structure
Product Name:2-Iodocumene
CAS No:19099-54-8
MF:C9H11I
MW:246.088114976883
MDL:MFCD00013704
CID:88038
PubChem ID:87571903
Update Time:2025-10-29

2-Iodocumene Chemical and Physical Properties

Names and Identifiers

    • 1-Iodo-2-isopropylbenzene
    • 2-Iodocumene~2-Isopropyliodobenzene
    • 2-Iodocumene
    • 1-iodo-2-propan-2-ylbenzene
    • 2-Iodoisopropylbenzene
    • Iodocumene
    • 2-iodo-isopropylbenzene
    • 2-isopropyliodobenzene
    • 2-isopropylphenyl iodide
    • o-Iodocumene
    • 2-Iodo-1-isopropylbenzene
    • 1-Isopropyl-2-iodobenzene
    • 3-Iodo-2-isopropoxytoluene
    • Benzene, 1-iodo-2-(1-methylethyl)-
    • 1-Iodo-2-isopropyl-benzene
    • SORQIYFSJAWBNQ-UHFFFAOYSA-N
    • o-i-propyliodobenzene
    • PubChem12584
    • 2-iodoisopropyl benzene
    • 2 - Iodoisopropylbenzene
    • 2-iodocumene, AldrichCPR
    • 1-Iodo-2-iso-propylbenzene
    • KSC497E0R
    • 2-iodo-1-(methylethyl)benzene
    • 1-Iodo-2-(prop-2-yl)benz
    • 19099-54-8
    • DS-6322
    • 1-iodo-2-(propan-2-yl)benzene
    • Benzene,1-iodo-2-(1-methylethyl)-
    • DR9WQW9E5N
    • SCHEMBL935174
    • NS00026235
    • AKOS009159263
    • EINECS 242-819-8
    • CS-W021342
    • MFCD00013704
    • EN300-646060
    • DTXSID20172612
    • 1-Iodo-2-(1-methylethyl)benzene
    • I0559
    • UNII-DR9WQW9E5N
    • SY048195
    • FT-0612677
    • DB-019221
    • MDL： MFCD00013704
    • Inchi： 1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
    • InChI Key： SORQIYFSJAWBNQ-UHFFFAOYSA-N
    • SMILES： IC1C=CC=CC=1C(C)C
    • BRN： 2351872

Computed Properties

  • Exact Mass: 245.99100
  • Monoisotopic Mass: 245.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 98.9
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: liquid
  • Density: 1.523±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 117°C/12mmHg(lit.)
  • Flash Point: 99.8±10.5 oC,
  • Refractive Index: 1.5830-1.5838 (589.3 nm 20 oC)
  • Solubility: Almost insoluble (0.012 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 3.41460
  • Sensitiveness: Light Sensitive
  • Solubility: Uncertain

2-Iodocumene Security Information

2-Iodocumene Customs Data

  • HS CODE：2903999090
  • Customs Data：

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-Iodocumene Pricemore >>

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