Cas no 911825-64-4 (5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE)

5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE structure
911825-64-4 structure
Product Name:5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE
CAS No:911825-64-4
MF:C8H5F3N2O
MW:202.133311986923
MDL:MFCD13185223
CID:891251
PubChem ID:18005500
Update Time:2024-12-09

5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE Chemical and Physical Properties

Names and Identifiers

    • 5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE
    • 5-(TRIFLUOROMETHOXY)-1H-BENZIMIDAZOLE
    • 6-(trifluoromethoxy)-1H-benzimidazole
    • benzimidazol-5-yloxytrifluoromethane
    • PC6272
    • 1H-Benzimidazole, 5-(trifluoromethoxy)- (9CI)
    • 6-(Trifluoromethoxy)-1H-benzimidazole (ACI)
    • 6-(Trifluoromethoxy)benzimidazole
    • DTXSID80592438
    • CS-0060726
    • 5-(Trifluoromethoxy)-1H-benzo[d]imidazole
    • 6-(trifluoromethoxy)-1H-benzo[d]imidazole
    • AS-63364
    • 6-(trifluoromethoxy)-1H-1,3-benzodiazole
    • W16794
    • 911825-64-4
    • AKOS023169386
    • 5-(trifluoromethoxy)-1H-1,3-benzodiazole
    • SCHEMBL1266231
    • MDL: MFCD13185223
    • Inchi: 1S/C8H5F3N2O/c9-8(10,11)14-5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)
    • InChI Key: YBOXTUJLDCBPEO-UHFFFAOYSA-N
    • SMILES: FC(OC1C=C2C(NC=N2)=CC=1)(F)F

Computed Properties

  • Exact Mass: 202.03500
  • Monoisotopic Mass: 202.03539727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 209
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 37.9?2

Experimental Properties

  • PSA: 37.91000
  • LogP: 2.46150

5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE Pricemore >>

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5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Palladium ;  5 min, 150 °C
Reference
Diversified facile synthesis of benzimidazoles, quinazolin-4(3H)-ones and 1,4-benzodiazepine-2,5-diones via palladium-catalyzed transfer hydrogenation/condensation cascade of nitro arenes under microwave irradiation
Zhu, Kaicheng; et al, RSC Advances, 2015, 5(15), 11132-11135

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Water ;  3 h, rt
Reference
Mechanochemistry Frees Thiourea Dioxide (TDO) from the 'Veils' of Solvent, Exposing All Its Reactivity
Basoccu, Francesco ; et al, Molecules, 2023, 28(5),

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Water ;  0 - 5 °C
2.1 Reagents: Sodium hydroxide ,  Water ;  3 h, rt
Reference
Mechanochemistry Frees Thiourea Dioxide (TDO) from the 'Veils' of Solvent, Exposing All Its Reactivity
Basoccu, Francesco ; et al, Molecules, 2023, 28(5),

5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE Raw materials

5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE Preparation Products

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