Cas no 40018-10-8 (3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile)

3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile structure
40018-10-8 structure
Product Name:3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile
CAS No:40018-10-8
MF:C10H6F3NO
MW:213.15595293045
MDL:MFCD02260792
CID:324698
PubChem ID:12630807
Update Time:2025-08-05

3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile, b-oxo-2-(trifluoromethyl)-
    • 2-(TRIFLUOROMETHYL)BENZOYLACETONITRILE
    • 2-Trifluoromethylbenzoylacetonitrile
    • 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
    • 3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile
    • 3-oxo-3(2-trifluoromethyl-phenyl)-propionitrile
    • 3-oxo-3-(2-trifluoromethylphenyl)propionitrile
    • 3-oxo-3-(2-trifluoromethyl-phenyl)-propionitrile
    • 3-oxo-3-[2-(trifluoromethyl)phenyl]propionitrile
    • AC1Q4JB7
    • CTK4I2275
    • o-Trifluormethylphenacylcyanid
    • o-trifluoromethylphenacylcyanide
    • PubChem12078
    • SureCN740028
    • AKOS000185359
    • CS-0236404
    • SB37034
    • FT-0604223
    • A6685
    • EN300-1708510
    • 40018-10-8
    • MFCD02260792
    • AT30430
    • SCHEMBL740028
    • AMY2014
    • DTXSID40504996
    • 3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile
    • MDL: MFCD02260792
    • Inchi: 1S/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4H,5H2
    • InChI Key: ULZOOHHGJMAKCY-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(CC#N)=O)(F)F

Computed Properties

  • Exact Mass: 213.04014830g/mol
  • Monoisotopic Mass: 213.04014830g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 289
  • 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: 2.4
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • Density: 1.296
  • Boiling Point: 308.9°C at 760 mmHg
  • Flash Point: 140.6°C
  • Refractive Index: 1.469

3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile Security Information

  • Hazardous Material Identification: T

3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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abcr
AB233097-1 g
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abcr
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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