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CS-W001157 4
Total: USD 88.00

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

  • CAS No. 3919-74-2

  • Cat. No. CS-W012573
  • Purity≥98%
  • MDL No.MFCD00055659

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

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-W012573

Structure of 3919-74-2

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General Information

  • CAS No. 3919-74-2
  • Cat. No. CS-W012573
  • Purity ≥98%
  • MDL No. MFCD00055659
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇ClFNO₃
  • Molecular Weight 255.63
  • Synonym(s) None
  • SMILES O=C(C1=C(C)ON=C1C2=C(F)C=CC=C2Cl)O

Description

for synthesis4-Chlorophenyl-2-hydroxyethyl sulfide for synthesis. CAS 13457-98-2, molar mass 188.68g/mol.

Synthesis

  • Route1
    • null|null
      1239346-71-4
    • ~88%
    • 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-W012573
      3919-74-2

    References

    • Sedelmeier, Joerg; Ley, Steven V.; Baxendale, Ian R.; Baumann, Marcus Organic Letters, 2010 , vol. 12, # 16 p. 3618 - 3621
  • Route2

    References

    • VARDHMAN CHEMTECH LIMITED; GUJRAL, Rajinder Singh; JAIN, Suyog Patent: WO2012/164355 A1, 2012 ; Location in patent: Page/Page column 11 ;
  • Route3
    • methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0033725
      4415-09-2
    • ~%
    • 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-W012573
      3919-74-2

    References

    • Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   3.14072
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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