Cas no 157764-07-3 (6-Fluoro-2-benzothiazoleacetonitrile)

6-Fluoro-2-benzothiazoleacetonitrile structure
157764-07-3 structure
Product Name:6-Fluoro-2-benzothiazoleacetonitrile
CAS No:157764-07-3
MF:C9H5FN2S
MW:192.212803602219
MDL:MFCD17182079
CID:107893
PubChem ID:45077249
Update Time:2025-04-18

6-Fluoro-2-benzothiazoleacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazoleacetonitrile,6-fluoro-(9CI)
    • (6-fluoro-1,3-benzothiazol-2-yl)acetonitrile
    • 6-Fluoro-2-benzothiazoleacetonitrile
    • AKOS024017154
    • 2-(6-FLUORO-1,3-BENZOTHIAZOL-2-YL)ACETONITRILE
    • SCHEMBL18285786
    • 157764-07-3
    • E88089
    • CS-0246975
    • EN300-3508850
    • 2-(6-Fluorobenzo[d]thiazol-2-yl)acetonitrile
    • MDL: MFCD17182079
    • Inchi: 1S/C9H5FN2S/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3H2
    • InChI Key: UZLYTHPJJKORPV-UHFFFAOYSA-N
    • SMILES: S1C(CC#N)=NC2C=CC(=CC1=2)F

Computed Properties

  • Exact Mass: 192.01585
  • Monoisotopic Mass: 192.016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 64.9A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 333.9±22.0 °C at 760 mmHg
  • Flash Point: 155.8±22.3 °C
  • PSA: 36.68
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

6-Fluoro-2-benzothiazoleacetonitrile Security Information

6-Fluoro-2-benzothiazoleacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 1556.00 2023-04-18
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