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CS-W001157 4
Total: USD 88.00

2,4-Difluoro-3-methylbenzoic acid

  • CAS No. 112857-68-8

  • Cat. No. CS-0018842
  • Purity≥97%
  • MDL No.MFCD03265223

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

2,4-Difluoro-3-methylbenzoic acid|CS-0018842

Structure of 112857-68-8

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General Information

  • CAS No. 112857-68-8
  • Cat. No. CS-0018842
  • Purity ≥97%
  • MDL No. MFCD03265223
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) Benzoic acid,2,4-difluoro-3-methyl
  • SMILES O=C(O)C1=CC=C(F)C(C)=C1F

Synthesis

  • Route1
    • null|null
      74-88-4
    • In-stock
      2,4-Difluorobenzoic acid|CS-W002068
      1583-58-0
    • ~72%
    • In-stock
      2,4-Difluoro-3-methylbenzoic acid|CS-0018842
      112857-68-8

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; BARVIAN, Kevin; BASARAB, Gregory, Steven; GOWRAVARAM, Madhusudhan, Reddy; HAUCK, Sheila, Irene; ZHOU, Fei Patent: WO2010/43893 A1, 2010 ; Location in patent: Page/Page column 99-100 ; WO 2010/043893 A1
  • Route2

    References

    • US6329391 B1, ;
  • Route3
    • In-stock
      3-Bromo-2,6-difluorotoluene|CS-W003055
      221220-97-9
    • null|null
      124-38-9
    • ~%
    • In-stock
      2,4-Difluoro-3-methylbenzoic acid|CS-0018842
      112857-68-8

    References

    • US2005/54733 A1, ; Page/Page column 4; 5 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-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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