Cas no 886763-17-3 (2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile)

2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile structure
886763-17-3 structure
Product Name:2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile
CAS No:886763-17-3
MF:C9H5BrF3NO
MW:280.041311979294
MDL:MFCD07368724
CID:712904
PubChem ID:2783311
Update Time:2025-04-19

2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,2-bromo-5-(trifluoromethoxy)-
    • 2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile
    • 2-Bromo-5-(trifluoromethoxy)phenylacetonitrile
    • CS-0322069
    • CL9642
    • SCHEMBL18931735
    • 2-(2-Bromo-5-(trifluoromethoxy)phenyl)acetonitrile
    • A842836
    • AKOS025310485
    • DTXSID20382572
    • PS-7238
    • AMSZMPJUHOLLSY-UHFFFAOYSA-N
    • 2-Bromo-5-(trifluoromethoxy)phenylacetonitrile 98%
    • [2-Bromo-5-(trifluoromethoxy)phenyl]acetonitrile
    • MFCD07368724
    • 886763-17-3
    • MDL: MFCD07368724
    • Inchi: 1S/C9H5BrF3NO/c10-8-2-1-7(15-9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2
    • InChI Key: AMSZMPJUHOLLSY-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C=C1CC#N)OC(F)(F)F

Computed Properties

  • Exact Mass: 278.951
  • Monoisotopic Mass: 278.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 260
  • 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: 3.4
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.626
  • Boiling Point: 282.2°C at 760 mmHg
  • Flash Point: 124.5°C
  • Refractive Index: 1.498

2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile Security Information

  • Hazardous Material Identification: Xi

2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile Pricemore >>

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abcr
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