Cas no 885280-34-2 (5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde)

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde structure
885280-34-2 structure
Product Name:5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde
CAS No:885280-34-2
MF:C8H5FN2O
MW:164.136504888535
MDL:MFCD06739033
CID:711749
PubChem ID:21286295
Update Time:2024-12-09

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6-Fluoro-1H-benzoimidazole-2-carbaldehyde
    • 6-Fluoro-1H-benzo[d]imidazole-2-carbaldehyde
    • 1H-Benzimidazole-2-carboxaldehyde,6-fluoro-
    • 5-Fluoro-1H-benzo[d]imidazole-2-carbaldehyde
    • 6-fluoro-1H-benzimidazole-2-carbaldehyde
    • 5-fluorobenzimidazole-2-carbaldehyde
    • 6-fluorobenzimidazole-2-carboxaldehyde
    • WT1225
    • 5-Fluorobenzimidazole-2-carboxaldehyde
    • AB28434
    • AB0070477
    • 5-Fluoro-1H-benzimidazole-2-carboxaldehyde
    • 5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde
    • 1H-Benzimidazole-2-carboxaldehyde, 5-fluoro- (9CI)
    • 6-Fluoro-1H-benzimidazole-2-carboxaldehyde (ACI)
    • SCHEMBL1335316
    • 885280-34-2
    • AKOS016003778
    • DTXSID50612016
    • AC-29340
    • MFCD07778419
    • 6-Fluoro-1H-benzoimidazole-2-carbaldehyde, AldrichCPR
    • SCHEMBL22656517
    • DB-077840
    • CS-0043844
    • AKOS013043659
    • DS-12976
    • MDL： MFCD06739033
    • Inchi： 1S/C8H5FN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-4H,(H,10,11)
    • InChI Key： XTQRRWMIWMTBDL-UHFFFAOYSA-N
    • SMILES： O=CC1NC2C(=CC(=CC=2)F)N=1

Computed Properties

  • Exact Mass: 164.03900
  • Monoisotopic Mass: 164.03859095g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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
  • Topological Polar Surface Area: 45.8
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.479
  • Boiling Point: 365.8°C at 760 mmHg
  • Flash Point: 175°C
  • Refractive Index: 1.71
  • PSA: 45.75000
  • LogP: 1.51450
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Security Information

5-fluoro-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%

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Pricemore >>

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5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Selenium dioxide Solvents: 1,4-Dioxane ;  12 h, reflux
Reference
Series of Fluorinated Benzimidazole-Substituted Nitronyl Nitroxides: Synthesis, Structure, Acidity, Redox Properties, and Magnetostructural Correlations
Tretyakov, Evgeny ; Fedyushin, Pavel; Bakuleva, Nadejda; Korlyukov, Alexander ; Dorovatovskii, Pavel ; et al, Journal of Organic Chemistry, 2023, 88(15), 10355-10370

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Raw materials

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Preparation Products

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde Related Literature

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