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CS-W001157 4
Total: USD 88.00

4-Bromo-2-methylbenzoic acid

  • CAS No. 68837-59-2

  • Cat. No. CS-W004863
  • Purity≥97%
  • MDL No.MFCD00040905

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

4-Bromo-2-methylbenzoic acid|CS-W004863

Structure of 68837-59-2

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General Information

  • CAS No. 68837-59-2
  • Cat. No. CS-W004863
  • Purity ≥97%
  • MDL No. MFCD00040905
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂
  • Molecular Weight 215.05
  • Synonym(s) 4-Bromo-o-toluic acid
  • SMILES CC1=CC(Br)=CC=C1C(O)=O

Description

4-Bromo-2-methylbenzoic acid features a strategically positioned bromine atom and methyl group on the aromatic ring, enabling selective functionalization in synthetic transformations. The carboxylic acid moiety provides a robust anchor for conjugation, while the electron-withdrawing bromine enhances reactivity in cross-coupling processes. This compound demonstrates excellent stability under standard bench conditions and is well-suited for use in pharmaceutical intermediates and materials chemistry.

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 20, p. 1017 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 39, p. 486
  • Route2
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    • In-stock
      4-Bromo-2-methylbenzoic acid|CS-W004863
      68837-59-2

    References

    • Journal of the Chemical Society, , p. 2258 - 2261
  • Route3

    References

    • Chemische Berichte, , vol. 20, p. 1017 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 39, p. 486

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P301+P310-P330-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.45572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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