Cas no 41381-33-3 (1-Iodo-2,3,4-trimethylbenzene)

1-Iodo-2,3,4-trimethylbenzene is a substituted aromatic compound featuring an iodine atom at the 1-position and methyl groups at the 2-, 3-, and 4-positions of the benzene ring. This structure enhances its utility in organic synthesis, particularly in cross-coupling reactions such as Suzuki, Stille, and Sonogashira couplings, where the iodine substituent acts as an effective leaving group. The electron-donating methyl groups influence reactivity and regioselectivity, making it valuable for constructing complex aromatic frameworks. Its stability under standard conditions and well-defined reactivity profile ensure consistent performance in synthetic applications. The compound is commonly used in pharmaceutical and materials science research for precise functionalization of aromatic systems.
1-Iodo-2,3,4-trimethylbenzene structure
1-Iodo-2,3,4-trimethylbenzene structure
Product Name:1-Iodo-2,3,4-trimethylbenzene
CAS No:41381-33-3
MF:C9H11I
MW:246.088114976883
CID:327589
PubChem ID:10933775
Update Time:2025-06-07

1-Iodo-2,3,4-trimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Iodo-2,3,4-trimethylbenzene
    • Benzene,1-iodo-2,3,4-trimethyl-
    • 2,3,4-Trimethyliodobenzene
    • 4-Iodhemellitol
    • 4-iodo-1,2,3-trimethylbenzene
    • Benzene,1-iodo-2,3,4-trimethyl
    • SCHEMBL8527219
    • 41381-33-3
    • DTXSID70448910
    • MFCD03093265
    • Inchi： 1S/C9H11I/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3
    • InChI Key： NJOHZAYMOQWQTG-UHFFFAOYSA-N
    • SMILES： IC1=CC=C(C)C(C)=C1C

Computed Properties

  • Exact Mass: 245.99100
  • Monoisotopic Mass: 245.99055g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 111
  • 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: 4.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 3.21640

1-Iodo-2,3,4-trimethylbenzene 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%

1-Iodo-2,3,4-trimethylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019087678-1g
1-Iodo-2,3,4-trimethylbenzene
 41381-33-3 95%
1g
 $345.60 2023-09-01
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1678924-1g
1-Iodo-2,3,4-trimethylbenzene
 41381-33-3 98%
1g
 ￥2912.00 2024-05-14
Crysdot LLC
CD12073537-1g
1-Iodo-2,3,4-trimethylbenzene
 41381-33-3 95+%
1g
 $392 2024-07-24

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