Cas no 1220630-83-0 (3-Amino-4-(trifluoromethyl)benzonitrile)

3-Amino-4-(trifluoromethyl)benzonitrile structure
1220630-83-0 structure
Product Name:3-Amino-4-(trifluoromethyl)benzonitrile
CAS No:1220630-83-0
MF:C8H5F3N2
MW:186.133911848068
MDL:MFCD18072580
CID:1005837
PubChem ID:52987954
Update Time:2025-04-20

3-Amino-4-(trifluoromethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-4-(trifluoromethyl)benzonitrile
    • CZYRYIJZODSVTK-UHFFFAOYSA-N
    • PC49084
    • CM12941
    • AS05791
    • 3-Amino-4-trifluoromethyl-benzonitrile
    • FCH1168585
    • AX8161769
    • AB0061150
    • Z3999
    • ST24028381
    • Benzonitrile, 3-amino-4-(trifluoromethyl)-
    • SCHEMBL1724867
    • DS-2227
    • DTXSID90681009
    • SY114288
    • AS-813/43501993
    • DB-010053
    • EN300-5034744
    • MFCD18072580
    • CS-W021833
    • 1220630-83-0
    • A856892
    • AKOS016002793
    • MDL: MFCD18072580
    • Inchi: 1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2
    • InChI Key: CZYRYIJZODSVTK-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C#N)=CC=1N)(F)F

Computed Properties

  • Exact Mass: 186.04048265g/mol
  • Monoisotopic Mass: 186.04048265g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 227
  • 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: 49.8
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 286.6±40.0 oC (760 Torr),
  • Flash Point: 127.1±27.3 oC,
  • Solubility: Very slightly soluble (0.18 g/l) (25 o C),

3-Amino-4-(trifluoromethyl)benzonitrile Pricemore >>

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