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CS-W001157 4
Total: USD 88.00

3,4-Difluoro-2-methylbenzoic acid

  • CAS No. 157652-31-8

  • Cat. No. CS-W017618
  • Purity≥98%
  • MDL No.MFCD07777153

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

3,4-Difluoro-2-methylbenzoic acid|CS-W017618

Structure of 157652-31-8

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General Information

  • CAS No. 157652-31-8
  • Cat. No. CS-W017618
  • Purity ≥98%
  • MDL No. MFCD07777153
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) Benzoic acid, 3,4-difluoro-2-methyl-
  • SMILES O=C(O)C1=CC=C(F)C(F)=C1C

Synthesis

  • Route1
    • In-stock
      1-Bromo-3,4-difluoro-2-methylbenzene|CS-W015288
      847502-81-2
    • null|null
      124-38-9
    • ~81%
    • In-stock
      3,4-Difluoro-2-methylbenzoic acid|CS-W017618
      157652-31-8

    References

    • Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; Anand, Neel K.; Arcalas, Arlyn; Baik, Tae Gon; Buhr, Chris A.; Cannoy, Jonah; Epshteyn, Sergey; Joshi, Anagha; Lara, Katherine; Lee, Matthew S.; Wang, Longcheng; Leahy, James W.; Nuss, John M.; Aay, Naing; Aoyama, Ron; Foster, Paul; Lee, Jae; Lehoux, Isabelle; Munagala, Narsimha; Plonowski, Arthur; Rajan, Sharmila; Woolfrey, John; Yamaguchi, Kyoko; Lamb, Peter; Miller, Nicole Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2218 - 2234
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 56, # 6 p. 2218 - 2234

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.97142
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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