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CS-W001157 4
Total: USD 88.00

4-Nitro-1,3-benzoxazole

  • CAS No. 163808-13-7

  • Cat. No. CS-0213301
  • Purity≥98%
  • MDL No.MFCD00965006

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

4-Nitro-1,3-benzoxazole|CS-0213301

Structure of 163808-13-7

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General Information

  • CAS No. 163808-13-7
  • Cat. No. CS-0213301
  • Purity ≥98%
  • MDL No. MFCD00965006
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₃
  • Molecular Weight 164.12
  • Synonym(s) 4-Nitrobenzoxazole
  • SMILES O=[N+](C1=C2N=COC2=CC=C1)[O-]

Synthesis

  • Route1
    • In-stock
      2-Amino-3-hydroxynitrobenzene|CS-W008642
      603-85-0
    • null|null
      122-51-0
    • ~93%
    • In-stock
      4-Nitro-1,3-benzoxazole|CS-0213301
      163808-13-7

    References

    • Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M. Dalton Transactions, 2012 , vol. 41, # 21 p. 6507 - 6515
  • Route2
    • In-stock
      2-Amino-3-hydroxynitrobenzene|CS-W008642
      603-85-0
    • null|null
      122-51-0
    • ~%
    • null|null
      64-17-5
    • In-stock
      4-Nitro-1,3-benzoxazole|CS-0213301
      163808-13-7

    References

    • Cytovia, Inc. Patent: US2006/104998 A1, 2006 ; Location in patent: Page/Page column 19 ; US 20060104998 A1
  • Route3
    • In-stock
      2-Amino-3-hydroxynitrobenzene|CS-W008642
      603-85-0
    • null|null
      149-73-5
    • ~91%
    • In-stock
      4-Nitro-1,3-benzoxazole|CS-0213301
      163808-13-7

    References

    • Katritzky, Alan R.; Musgrave, Richard P.; Rachwal, Bogumila; Zaklika, Chris Heterocycles, 1995 , vol. 41, # 2 p. 345 - 352

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.17
  • LogP   1.736
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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