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CS-W001157 4
Total: USD 88.00

2-Bromo-5-nitrobenzo[d]oxazole

  • CAS No. 1246472-00-3

  • Cat. No. CS-0102728
  • Purity≥97%
  • MDL No.MFCD17169278

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

2-Bromo-5-nitrobenzo[d]oxazole|CS-0102728

Structure of 1246472-00-3

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General Information

  • CAS No. 1246472-00-3
  • Cat. No. CS-0102728
  • Purity ≥97%
  • MDL No. MFCD17169278
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrN₂O₃
  • Molecular Weight 243.01
  • Synonym(s) None
  • SMILES O=[N+](C1=CC=C(OC(Br)=N2)C2=C1)[O-]

Synthesis

  • Route1

    References

    • MERCK SHARP and; DOHME CORP.; COBURN, Craig, A.; MCCAULEY, John, A.; LUDMERER, Steven, W.; LIU, Kun; VACCA, Joseph, P.; WU, Hao; HU, Bin; SOLL, Richard; SUN, Fei; WANG, Xinghai; YAN, Man; ZHANG, Chengren; ZHENG, Mingwei; ZHONG, Bin; ZHU, Jian Patent: WO2010/111483 A1, 2010 ; Location in patent: Page/Page column 150 ; WO 2010/111483 A1
  • Route2

    References

    • Sherry, Benjamin D.; Chen, Yeo-Chuin Justin; Mangion, Ian K.; Yin, Jingjun Tetrahedron Letters, 2012 , vol. 53, # 7 p. 730 - 732

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.17
  • LogP   2.4985
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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