Cas no 50597-88-1 (3-Iodo-4-methoxytoluene)

3-Iodo-4-methoxytoluene structure
3-Iodo-4-methoxytoluene structure
Product Name:3-Iodo-4-methoxytoluene
CAS No:50597-88-1
MF:C8H9IO
MW:248.060934782028
MDL:MFCD00060660
CID:369114
PubChem ID:142726
Update Time:2025-04-19

3-Iodo-4-methoxytoluene Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-1-methoxy-4-methylbenzene
    • 3-Iodo-4-methoxytoluene
    • Benzene,2-iodo-1-methoxy-4-methyl-
    • 4-Methyl-2-iodoanisole
    • 2-Iodo-4-methylanisole
    • OASGOCIPNQWXLR-UHFFFAOYSA-N
    • 2-iodo-1-methoxy-4-methyl-benzene
    • 2-Iodo-1-methoxy-4-methylbenzene #
    • AS02092
    • VZ26974
    • ST2416976
    • X4546
    • A19671
    • MFCD00060660
    • CS-0067552
    • 50597-88-1
    • AS-58023
    • DTXSID30198641
    • AKOS009319651
    • AC-25937
    • AMY28060
    • FT-0639915
    • SCHEMBL3864377
    • EN300-646049
    • DTXCID90121132
    • DB-051798
    • MDL: MFCD00060660
    • Inchi: 1S/C8H9IO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
    • InChI Key: OASGOCIPNQWXLR-UHFFFAOYSA-N
    • SMILES: IC1C=C(C)C=CC=1OC

Computed Properties

  • Exact Mass: 247.97000
  • Monoisotopic Mass: 247.969808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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
  • Topological Polar Surface Area: 9.2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.634±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 30.5-31 oC
  • Boiling Point: 237-238 oC
  • Flash Point: 109.6±24.0 oC,
  • Refractive Index: 1.582
  • Solubility: Very slightly soluble (0.35 g/l) (25 o C),
  • PSA: 9.23000
  • LogP: 2.60820

3-Iodo-4-methoxytoluene Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-Iodo-4-methoxytoluene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-Iodo-4-methoxytoluene Pricemore >>

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