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CS-W001157 4
Total: USD 88.00

2-Chloro-1,3-dimethylbenzene

  • CAS No. 6781-98-2

  • Cat. No. CS-W014356
  • Purity≥98%
  • MDL No.MFCD00000565

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

2-Chloro-1,3-dimethylbenzene|CS-W014356

Structure of 6781-98-2

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General Information

  • CAS No. 6781-98-2
  • Cat. No. CS-W014356
  • Purity ≥98%
  • MDL No. MFCD00000565
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉Cl
  • Molecular Weight 140.61
  • Synonym(s) 2,6-Dimethylchlorobenzene2-Chloro-m-xylene
  • SMILES CC1=C(Cl)C(C)=CC=C1

Description

2-Chloro-1,3-dimethylbenzene is a sterically hindered aromatic compound featuring ortho-chloro and two methyl groups at meta positions. This configuration imparts enhanced stability and directs electrophilic substitution to the less substituted ring carbon. The molecule serves as a key intermediate in pharmaceutical synthesis and materials chemistry due to its predictable reactivity under standard conditions.

Application

2-Chloro-1,3-dimethylbenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering predictable reactivity in palladium-catalyzed cross-coupling reactions. Its ortho-chloro substitution enables efficient functionalization while the methyl groups provide steric and electronic modulation. The compound exhibits excellent bench stability and compatibility with standard purification techniques, facilitating its use in multi-step syntheses of complex aromatic scaffolds.

Synthesis

  • Route1
    • null|null
      876-99-3
    • ~94%
    • In-stock
      2-Chloro-1,3-dimethylbenzene|CS-W014356
      6781-98-2

    References

    • Lui, Norbert; Marhold, Albrecht; Rock, Michael H. Journal of Organic Chemistry, 1998 , vol. 63, # 8 p. 2493 - 2496
  • Route2

    References

    • Wu, Hong; Hynes Jr., John Organic Letters, 2010 , vol. 12, # 6 p. 1192 - 1195
  • Route3

    References

    • Arvela, Riina K.; Leadbeater, Nicholas E. Synlett, 2003 , # 8 p. 1145 - 1148

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.95684
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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