Cas no 190774-54-0 (4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate)

4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate structure
190774-54-0 structure
Product Name:4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate
CAS No:190774-54-0
MF:C8H3F4NO
MW:205.109135866165
MDL:MFCD00673071
CID:229255
PubChem ID:2733382
Update Time:2025-04-19

4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,4-fluoro-1-isocyanato-2-(trifluoromethyl)-
    • 4-fluoro-1-isocyanato-2-(trifluoromethyl)benzene
    • 472212_ALDRICH
    • AC1MBYR8
    • AC1Q4MI7
    • ACMC-20amim
    • CTK4E0483
    • SBB006635
    • TIMTEC-BB SBB006635
    • 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
    • Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)- (9CI)
    • 4-Fluoro-2-(trifluoromethyl)phenyl isocyanate,98%
    • 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 97%
    • 190774-54-0
    • FT-0643798
    • 4-fluoro-1-isocyanato-2-trifluoromethyl-benzene
    • AKOS015916385
    • A813435
    • 4-Fluoro-2-(trifluoromethyl)phenyl isocyanate, 97%
    • SCHEMBL424482
    • EN300-322518
    • J-012317
    • Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)-
    • DTXSID40369880
    • DB-044743
    • 4-Fluoro-2-(trifluoromethyl)phenylisocyanate
    • 4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate
    • MDL: MFCD00673071
    • Inchi: 1S/C8H3F4NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
    • InChI Key: MNANIHSTOUUFNY-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C=CC=1N=C=O)F)(F)F

Computed Properties

  • Exact Mass: 205.01500
  • Monoisotopic Mass: 205.01507637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • 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: 3.7
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.43?g/mL?at 25?°C(lit.)
  • Boiling Point: 52?°C/2.5?mmHg(lit.)
  • Flash Point: Fahrenheit: 159.8 ° f < br / > Celsius: 71 ° C < br / >
  • Refractive Index: n20/D 1.461(lit.)
  • PSA: 29.43000
  • LogP: 2.81180
  • Solubility: Not available
  • Vapor Pressure: 0.6±0.4 mmHg at 25°C

4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H312-H314-H332
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 2922 8/PG 3
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-34
  • Safety Instruction: S26; S27; S36/37/39; S45
  • Hazardous Material Identification: C
  • Risk Phrases:R20/21/22
  • Safety Term:S26-27-36/37/39-45
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate Customs Data

  • HS CODE:2929109000
  • Customs Data:

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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