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CS-W001157 4
Total: USD 88.00

7-Nitro-1H-benzo[d]imidazole

  • CAS No. 10597-52-1

  • Cat. No. CS-0102212
  • Purity≥96%
  • MDL No.MFCD00220143

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

7-Nitro-1H-benzo[d]imidazole|CS-0102212

Structure of 10597-52-1

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General Information

  • CAS No. 10597-52-1
  • Cat. No. CS-0102212
  • Purity ≥96%
  • MDL No. MFCD00220143
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) 4-Nitro-1H-benzimidazole
  • SMILES O=[N+](C1=C2C(N=CN2)=CC=C1)[O-]

Synthesis

  • Route1
    • null|null
      64-18-6
    • In-stock
      3-Nitrobenzene-1,2-diamine|CS-W004886
      3694-52-8
    • ~92%
    • In-stock
      7-Nitro-1H-benzo[d]imidazole|CS-0102212
      10597-52-1

    References

    • Robl; Sulsky; Sun; Simpkins; Wang; Dickson Jr.; Chen; Magnin; Taunk; Slusarchyk; Biller; Lan; Connolly; Kunselman; Sabrah; Jamil; Gordon; Harrity; Wetterau Journal of Medicinal Chemistry, 2001 , vol. 44, # 6 p. 851 - 856
  • Route2

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: EP904262 B1, 2004 ; Location in patent: Page 210 ;
  • Route3
    • null|null
      122-51-0
    • In-stock
      3-Nitrobenzene-1,2-diamine|CS-W004886
      3694-52-8
    • ~93%
    • In-stock
      7-Nitro-1H-benzo[d]imidazole|CS-0102212
      10597-52-1

    References

    • Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M. Dalton Transactions, 2012 , vol. 41, # 21 p. 6507 - 6515

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   1.4711
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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