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CS-W001157 4
Total: USD 88.00

5-Bromo-1-methyl-1H-indole-3-carboxylic acid

  • CAS No. 400071-95-6

  • Cat. No. CS-0028257
  • Purity≥97%
  • MDL No.MFCD14706162
  • HazMat Fee +

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    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.

5-Bromo-1-methyl-1H-indole-3-carboxylic acid|CS-0028257

Structure of 400071-95-6

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Description

5-Bromo-1-methyl-1H-indole-3-carboxylic acid features a brominated indole core with a methyl group at the nitrogen and a carboxylic acid at the 3-position, enabling direct integration into bioactive molecule scaffolds. The electron-withdrawing bromine enhances reactivity in cross-coupling processes, while the carboxylic acid provides a handle for derivatization under standard conditions.

Application

5-Bromo-1-methyl-1H-indole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into biologically active indole scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group supports amide formation and derivatization under standard conditions. The molecule exhibits excellent bench stability and is readily purified by crystallization, making it well-suited for scalable synthesis and process development.

General Information

  • CAS No. 400071-95-6
  • Cat. No. CS-0028257
  • Purity ≥97%
  • MDL No. MFCD14706162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) 5-Bromo-1-Methyl-1H-Indole-3-Carboxylicacid
  • SMILES OC(C1=CN(C)C2=CC=C(Br)C=C12)=O

Computational Chemistry Data

  • TPSA   42.23
  • LogP   2.639
  • H_Acceptors   2
  • 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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