Cas no 302912-40-9 (2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate)

2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate structure
302912-40-9 structure
Product Name:2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate
CAS No:302912-40-9
MF:C8H3F4NS
MW:221.174734354019
CID:299345
PubChem ID:3407824
Update Time:2025-04-19

2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-fluoro-2-isothiocyanato-4-(trifluoromethyl)-
    • 2-fluoro-5-(trifluoromethyl)benzeneisothiocyanate
    • 2-Fluoro-5-(trifluoromethyl)phenyl
    • 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
    • 2-fluoro-5-trifluoromethylphenylisothiocyanate
    • 525383_ALDRICH
    • AC1MP9UE
    • CTK8E4029
    • KB-170485
    • AKOS012336537
    • 2-FLUORO-5-TRIFLUOROMETHYLPHENYL ISOTHI&
    • MFCD02683532
    • SY328582
    • 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate, 97%
    • C8H3F4NS
    • J-017885
    • 1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene
    • 302912-40-9
    • 2-fluoro-5-(trifluoromethyl)phenylisothiocyanate
    • DTXSID90392204
    • SCHEMBL1435223
    • 2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate
    • MDL: MFCD02683532
    • Inchi: 1S/C8H3F4NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
    • InChI Key: PVQGRXJLBCCYLQ-UHFFFAOYSA-N
    • SMILES: S=C=NC1=C(C=CC(C(F)(F)F)=C1)F

Computed Properties

  • Exact Mass: 220.99229
  • Monoisotopic Mass: 220.992
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 246
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.3
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.42?g/mL?at 25?°C(lit.)
  • Boiling Point: 202-209?°C(lit.)
  • Flash Point: 210?°F
  • Refractive Index: n20/D 1.54(lit.)
  • PSA: 12.36
  • Solubility: Not determined

2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate Security Information

  • Hazardous Material transportation number:UN 1760 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: 26-27-36/37/39-45
  • Hazardous Material Identification: C
  • Risk Phrases:34

2-Fluoro-5-(trifluoromethyl)phenyl Isothiocyanate Pricemore >>

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