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CS-W001157 4
Total: USD 88.00

6-Chloro-2,3-dimethylbenzoic acid

  • CAS No. 5613-24-1

  • Cat. No. CS-0095083
  • Purity≥97%
  • MDL No.MFCD20641268

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

6-Chloro-2,3-dimethylbenzoic acid|CS-0095083

Structure of 5613-24-1

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General Information

  • CAS No. 5613-24-1
  • Cat. No. CS-0095083
  • Purity ≥97%
  • MDL No. MFCD20641268
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight 184.62
  • Synonym(s) 6-chloro-2,3-dimethyl-benzoic acid
  • SMILES O=C(O)C1=C(Cl)C=CC(C)=C1C

Synthesis

  • Route1
    • null|null
      7499-12-9
    • ~%
    • 6-Chloro-2,3-dimethylbenzoic acid|CS-0095083
      5613-24-1

    References

    • Newman et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 6454
  • Route2
    • null|null
      95-65-8
    • ~%
    • 6-Chloro-2,3-dimethylbenzoic acid|CS-0095083
      5613-24-1

    References

    • Newman et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 6454
  • Route3
    • null|null
      101583-29-3
    • ~%
    • 6-Chloro-2,3-dimethylbenzoic acid|CS-0095083
      5613-24-1

    References

    • Beard,W.Q.; Hauser,C.R. Journal of Organic Chemistry, 1960 , vol. 25, p. 334 - 343

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H226-H301+H331-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.65504
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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