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CS-W001157 4
Total: USD 88.00

2-Iodo-6-methylbenzoic acid

  • CAS No. 54811-50-6

  • Cat. No. CS-0131360
  • Purity≥97%
  • MDL No.MFCD01310823
  • HazMat Fee +

    HazMat Fee

    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.

2-Iodo-6-methylbenzoic acid|CS-0131360

Structure of 54811-50-6

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Description

2-Iodo-6-methylbenzoic acid features a sterically hindered aromatic core with complementary iodine and methyl substituents positioned ortho to the carboxylic acid group. This arrangement enables efficient cross-coupling reactions while maintaining stability under standard conditions. The electron-deficient aryl iodide integrates readily into complex molecular architectures, offering a reliable handle for C–C bond formation in synthetic workflows.

Application

2-Iodo-6-methylbenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation in the synthesis of substituted biaryls and functionalized aromatic systems. The iodo group exhibits high reactivity under standard Suzuki, Stille, and Negishi conditions, while the carboxylic acid and methyl groups provide orthogonal handles for further derivatization. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthetic sequences targeting complex pharmaceutical intermediates and agrochemical scaffolds.

General Information

  • CAS No. 54811-50-6
  • Cat. No. CS-0131360
  • Purity ≥97%
  • MDL No. MFCD01310823
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO₂
  • Molecular Weight 262.04
  • Synonym(s) 6-Iodo-o-toluic acid, 2-Carboxy-3-iodotoluene
  • SMILES O=C(O)C1=C(C)C=CC=C1I

Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.29782
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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-P330-P362+P364-P405-P501

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