Cas no 175205-33-1 (2-(Trifluoromethoxy)phenyl isothiocyanate)

2-(Trifluoromethoxy)phenyl isothiocyanate structure
175205-33-1 structure
Product Name:2-(Trifluoromethoxy)phenyl isothiocyanate
CAS No:175205-33-1
MF:C8H4F3NOS
MW:219.18367099762
MDL:MFCD00220860
CID:135361
PubChem ID:2777336
Update Time:2025-04-19

2-(Trifluoromethoxy)phenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-isothiocyanato-2-(trifluoromethoxy)-
    • 2-(Trifluoromethoxy)phenyl isothiocyanate
    • 1-isothiocyanato-2-(trifluoromethoxy)benzene
    • Benzene, 1-isothiocyanato-2-(trifluoromethoxy)- (9CI)
    • 2-Isothiocyanato-alpha,alpha,alpha-trifluoroanisole, 1-Isothiocyanato-2-(trifluoromethoxy)benzene
    • 2-(Trifluoromethoxy)phenylisothiocyanate97%
    • 2-(Trifluoromethoxy)phenyl isothiocyate, 99%
    • 2-(Trifluoromethoxy)phenyl isothiocyanate 97%
    • benzene, 1-isothiocyanato-2-(trifluoromethoxy)-
    • AKOS005173828
    • SY062570
    • SCHEMBL1967227
    • 175205-33-1
    • FT-0608947
    • MFCD00220860
    • 1-isothiocyanato-2-(trifluoromethyloxy)benzene
    • F0001-0639
    • DTXSID50380480
    • A811936
    • BB 0260323
    • 1-isothiocyanato-2-trifluoromethoxy-benzene
    • DB-019553
    • G78101
    • 2-(trifluoromethoxy)phenylisothiocyanate
    • ALBB-013139
    • MDL： MFCD00220860
    • Inchi： 1S/C8H4F3NOS/c9-8(10,11)13-7-4-2-1-3-6(7)12-5-14/h1-4H
    • InChI Key： ZFEJYPIWOGCCFS-UHFFFAOYSA-N
    • SMILES： S=C=NC1C=CC=CC=1OC(F)(F)F

Computed Properties

  • Exact Mass: 218.99700
  • Monoisotopic Mass: 218.99656941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 4.5
  • Topological Polar Surface Area: 53.7?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.354?g/mL?at 25?°C(lit.)
  • Boiling Point: 215?°C(lit.)
  • Flash Point: 102?°C
  • Refractive Index: n20/D 1.543(lit.)
  • PSA: 53.68000
  • LogP: 3.31950
  • Solubility: Not determined

2-(Trifluoromethoxy)phenyl isothiocyanate Security Information

  • Hazard Statement： Irritant
  • Hazardous Material transportation number：UN 1760 8/PG 2
  • WGK Germany：3
  • Hazard Category Code： 34
  • Safety Instruction： S26; S27; S36/37/39; S45
  • Hazardous Material Identification： C Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R34

2-(Trifluoromethoxy)phenyl isothiocyanate Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. 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:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(Trifluoromethoxy)phenyl isothiocyanate Pricemore >>

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