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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-4-methyl-benzoic acid

  • CAS No. 99520-05-5

  • Cat. No. CS-0195207
  • Purity≥98%
  • MDL No.None

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

2,6-Dichloro-4-methyl-benzoic acid|CS-0195207

Structure of 99520-05-5

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General Information

  • CAS No. 99520-05-5
  • Cat. No. CS-0195207
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂O₂
  • Molecular Weight 205.04
  • Synonym(s) 2,6-Dichloro-4-Methylbenzoic acid
  • SMILES CC1=CC(=C(C(=C1)Cl)C(=O)O)Cl

Synthesis

  • Route1

    References

    • Sun, Xiuyun; Shan, Gang; Sun, Yonghui; Rao, Yu Angewandte Chemie - International Edition, 2013 , vol. 52, # 16 p. 4440 - 4444 Angew. Chem., 2013 , vol. 125, # 16 p. 4536 - 4540,5
  • Route2

    References

    • Sun, Xiuyun; Shan, Gang; Sun, Yonghui; Rao, Yu Angewandte Chemie - International Edition, 2013 , vol. 52, # 16 p. 4440 - 4444 Angew. Chem., 2013 , vol. 125, # 16 p. 4536 - 4540,5
  • Route3

    References

    • Bochis; Chabala; Harris; Peterson; Barash; Beattie; Brown; Graham; Waksmunski; Tischler; Joshua; Smith; Colwell; Wyvratt Jr.; Fisher; Tamas; Nicolich; Schleim; Wilks et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2843 - 2852

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.00002
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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