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CS-W001157 4
Total: USD 88.00

1-Propyl-3H-1,3-benzodiazol-2-one

  • CAS No. 77557-01-8

  • Cat. No. CS-0212928
  • Molecule weight176.22
  • Purity≥97%
  • MDL No.MFCD02707887

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

1-Propyl-3H-1,3-benzodiazol-2-one|CS-0212928

Structure of 77557-01-8

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General Information

  • CAS No. 77557-01-8
  • Cat. No. CS-0212928
  • Purity ≥97%
  • MDL No. MFCD02707887
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) 1-propyl-1,3-dihydro-2H-benzimidazol-2-one
  • SMILES CCCN1C2=CC=CC=C2N=C1O

Synthesis

  • Route1
    • null|null
      77556-86-6
    • ~95%
    • 1-Propyl-3H-1,3-benzodiazol-2-one|CS-0212928
      77557-01-8

    References

    • Vernin, Gaston; Domlog, Hicham; Siv, Chan; Metzger, Jaques; El-Shafei, Ahmed Kamal Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 85 - 89
  • Route2
    • null|null
      5363-31-5
    • ~71%
    • 1-Propyl-3H-1,3-benzodiazol-2-one|CS-0212928
      77557-01-8

    References

    • Prakash; Batra; Kaur; Sharma; Singh; Moriarty Synthesis, 2001 , # 4 p. 541 - 543
  • Route3
    • null|null
      16062-69-4
    • ~10%
    • null|null
      84312-75-4
    • 1-Propyl-3H-1,3-benzodiazol-2-one|CS-0212928
      77557-01-8

    References

    • Essawy, A.; El-Hashash, M. A.; El-Gendy, A. M.; Hamad, M. M. M. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 6 p. 593 - 595

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   2.1519
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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