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CS-W001157 4
Total: USD 88.00

2-Methyl-1,3-benzoxazole-7-carboxylic acid

  • CAS No. 52395-92-3

  • Cat. No. CS-0213017
  • Molecule weight177.16
  • Purity≥98%
  • MDL No.MFCD03308601

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

2-Methyl-1,3-benzoxazole-7-carboxylic acid|CS-0213017

Structure of 52395-92-3

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General Information

  • CAS No. 52395-92-3
  • Cat. No. CS-0213017
  • Purity ≥98%
  • MDL No. MFCD03308601
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 2-METHYLBENZO[D]OXAZOLE-7-CARBOXYLIC ACID
  • SMILES CC1=NC2=CC=CC(=C2O1)C(=O)O

Synthesis

  • Route1

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2008/81399 A2, 2008 ; Location in patent: Page/Page column 78 ; WO 2008/081399 A2
  • Route2

    References

    • Zahn Journal fuer Praktische Chemie (Leipzig), 1900 , vol. <2>61, p. 533
  • Route3

    References

    • Zahn Journal fuer Praktische Chemie (Leipzig), 1900 , vol. <2>61, p. 533

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   1.83442
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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