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CS-W001157 4
Total: USD 88.00

Ethyl 5-iodo-2-methylbenzoate

  • CAS No. 612833-45-1

  • Cat. No. CS-0096412
  • Purity≥95%
  • MDL No.None
  • HazMat Fee +

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    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Ethyl 5-iodo-2-methylbenzoate|CS-0096412

Structure of 612833-45-1

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Description

Ethyl 5-iodo-2-methylbenzoate features a para-iodinated benzene ring flanked by an ethyl ester and a methyl group, enabling direct functionalization in cross-coupling reactions. The iodide moiety provides high reactivity under palladium catalysis, while the ester and methyl substituents offer stability and tunable electronic effects. This compound serves as a robust scaffold for synthesizing complex aromatic architectures in medicinal chemistry and materials science.

Application

Ethyl 5-iodo-2-methylbenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C and C–heteroatom bond formation. The iodide group exhibits high reactivity in palladium-catalyzed coupling processes, while the ester and methyl functionalities offer orthogonal handles for further derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process-scale synthesis.

General Information

  • CAS No. 612833-45-1
  • Cat. No. CS-0096412
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁IO₂
  • Molecular Weight 290.10
  • Synonym(s) Benzoic acid, 5-iodo-2-methyl-, ethyl ester
  • SMILES O=C(OCC)C1=CC(I)=CC=C1C

Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.77632
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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