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CS-W001157 4
Total: USD 88.00

2-Chloro-6-methylbenzoic acid

  • CAS No. 21327-86-6

  • Cat. No. CS-M3425
  • Purity≥98%
  • MDL No.MFCD00045799

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

2-Chloro-6-methylbenzoic acid|CS-M3425

Structure of 21327-86-6

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General Information

  • CAS No. 21327-86-6
  • Cat. No. CS-M3425
  • Purity ≥98%
  • MDL No. MFCD00045799
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂
  • Molecular Weight 170.59
  • Synonym(s) None
  • SMILES ClC1=C(C(O)=O)C(C)=CC=C1

Description

2-Chloro-6-methylbenzoic acid features a chlorinated aromatic ring with a methyl group at the para position relative to the carboxylic acid, enhancing electron-withdrawing effects and influencing reactivity in coupling reactions. This bench-stable derivative integrates readily into pharmaceutical intermediates and agrochemical scaffolds, offering predictable regioselectivity under standard conditions.

Application

2-Chloro-6-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a well-defined ortho-substituted aromatic scaffold. The carboxylic acid group enables direct amidation, esterification, and coupling reactions, while the chlorine and methyl groups provide orthogonal sites for further functionalization. Its bench-stable crystalline form facilitates handling and purification, making it suitable for scalable transformations in standard synthetic workflows.

Synthesis

  • Route1

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 153, p. 200,213 Journal of the Chemical Society, , p. 2788
  • Route2

    References

    • Lopez, Flavio Chavez; Shankar, Ashish; Thompson, Maethonia; Shealy, Brandon; Locklear, Dobbert; Rawalpally, Thimma; Cleary, Thomas; Gagliardi, Charles Organic Process Research and Development, 2005 , vol. 9, # 6 p. 1003 - 1008
  • Route3
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • ~%
    • In-stock
      2-Chloro-6-methylbenzoic acid|CS-M3425
      21327-86-6

    References

    • US2003/181759 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.34662
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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