Cas no 118469-08-2 (1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde)

1-(Fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde is a fluorinated heterocyclic aldehyde with applications in pharmaceutical and agrochemical research. Its structure combines a benzodiazole core with a reactive formyl group and a fluoromethyl substituent, enhancing its utility as a versatile intermediate in organic synthesis. The presence of fluorine improves metabolic stability and bioavailability, making it valuable in drug discovery. The aldehyde functionality allows for further derivatization via condensation or nucleophilic addition reactions. This compound is particularly useful in the development of bioactive molecules, offering precise control over molecular properties. High purity and consistent quality ensure reliable performance in synthetic applications.
1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde structure
118469-08-2 structure
Product Name:1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde
CAS No:118469-08-2
MF:C9H7FN2O
MW:178.163085222244
CID:132948
PubChem ID:15072055
Update Time:2025-10-29

1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(Fluoromethyl)-1H-benzo[d]imidazole-2-carbaldehyde
    • 1-(fluoromethyl)-1H-Benzimidazole-2-carboxaldehyde
    • 1-(fluoromethyl)benzimidazole-2-carbaldehyde
    • 1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE,1-(FLUOROMETHYL)-
    • 1H-Benzimidazole-2-carboxaldehyde,1-(fluoromethyl)
    • 1H-Benzimidazole-2-carboxaldehyde,1-(fluoromethyl)-(9CI)
    • 1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde
    • DTXSID20567802
    • SCHEMBL9674712
    • CS-0442028
    • 1-fluoromethylbenzimidazole-2-carboxaldehyde
    • 1-(Fluoromethyl)-1H-benzimidazole-2-carbaldehyde
    • AKOS006318924
    • 118469-08-2
    • A898684
    • 1-(fluoromethyl)-1h-benzo[d]imidazole-2-carboxaldehyde
    • VTQOBFGEGKBEAK-UHFFFAOYSA-N
    • MDL： MFCD11616061
    • Inchi： 1S/C9H7FN2O/c10-6-12-8-4-2-1-3-7(8)11-9(12)5-13/h1-5H,6H2
    • InChI Key： VTQOBFGEGKBEAK-UHFFFAOYSA-N
    • SMILES： FCN1C(C=O)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 178.05400
  • Monoisotopic Mass: 178.05424101g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 200
  • 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: 1.6
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Density: 1.30±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 341.9±44.0 °C at 760 mmHg
  • Flash Point: 160.6±28.4 °C
  • Refractive Index: 1.601
  • Solubility: Very slightly soluble (0.34 g/l) (25 o C),
  • PSA: 34.89000
  • LogP: 1.77580
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde Security Information

1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(fluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde Pricemore >>

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