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CS-W001157 4
Total: USD 88.00

3-Bromo-4,5-dihydroisoxazole-5-carboxylic acid amide

  • CAS No. 1030613-69-4

  • Cat. No. CS-0514654
  • Purity≥98%
  • MDL No.MFCD11707008

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

3-Bromo-4,5-dihydroisoxazole-5-carboxylic acid amide|CS-0514654

Structure of 1030613-69-4

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General Information

  • CAS No. 1030613-69-4
  • Cat. No. CS-0514654
  • Purity ≥98%
  • MDL No. MFCD11707008
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅BrN₂O₂
  • Molecular Weight 193.00
  • Synonym(s) 3-broMo-4,5-dihydroisoxazole-5-carboxaMide
  • SMILES O=C(C1CC(Br)=NO1)N

Synthesis

  • Route1

    References

    • MERCK FROSST CANADA LTD.; ISABEL, Elise; LACHANCE, Nicolas; LECLERC, Jean-Philippe; LEGER, Serge; OBALLA, Renata, M.; POWELL, David; RAMTOHUL, Yeeman, K.; ROY, Patrick; TRANMER, Geoffrey, K.; ASPIOTIS, Renee; LI, Lianhai; MARTINS, Evelyn Patent: WO2010/94126 A1, 2010 ; Location in patent: Page/Page column 70 ; WO 2010/094126 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H412
Precautionary Statements : P264-P273-P280-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.68
  • LogP   -0.031
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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