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CS-W001157 4
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5-Methyl-3-phenylisoxazole-4-carbonyl chloride

  • CAS No. 16883-16-2

  • Cat. No. CS-W014729
  • Purity≥97%
  • MDL No.MFCD00052205

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

5-Methyl-3-phenylisoxazole-4-carbonyl chloride|CS-W014729

Structure of 16883-16-2

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General Information

  • CAS No. 16883-16-2
  • Cat. No. CS-W014729
  • Purity ≥97%
  • MDL No. MFCD00052205
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₂
  • Molecular Weight 221.64
  • Synonym(s) 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
  • SMILES O=C(Cl)C1=C(C)ON=C1C2=CC=CC=C2

Synthesis

  • Route1

    References

    • VIRONOVA AB; HOMMAN, Mohammed; KINGI, Ngarita; BERGMAN, Jan; ENGQVIST, Robert Patent: WO2013/171334 A1, 2013 ; Location in patent: Page/Page column 23 ;
  • Route2
    • null|null
      35166-26-8
    • ~%
    • In-stock
      5-Methyl-3-phenylisoxazole-4-carbonyl chloride|CS-W014729
      16883-16-2

    References

    • US4544670 A1, ;
  • Route3
    • Methyl 5-methyl-3-phenylisoxazole-4-carboxylate|CS-0279483
      2065-28-3
    • ~%
    • In-stock
      5-Methyl-3-phenylisoxazole-4-carbonyl chloride|CS-W014729
      16883-16-2

    References

    • Journal of Heterocyclic Chemistry, , vol. 49, # 3 p. 621 - 627

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   3.02902
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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