Cas no 119474-40-7 (Benzene,1,2,3-trifluoro-4-isothiocyanato-)

Benzene,1,2,3-trifluoro-4-isothiocyanato- structure
119474-40-7 structure
Product Name:Benzene,1,2,3-trifluoro-4-isothiocyanato-
CAS No:119474-40-7
MF:C7H2F3NS
MW:189.157690525055
MDL:MFCD02093787
CID:135337
PubChem ID:2760791
Update Time:2025-04-19

Benzene,1,2,3-trifluoro-4-isothiocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,3-trifluoro-4-isothiocyanato-
    • 1,2,3-trifluoro-4-isothiocyanatobenzene
    • 2,3,4,5,6-PENTAFLUOROPHENYL 3-METHYLBENZENESULPHONATE
    • 2,3,4-Trifluorophenylisothiocyanate
    • 2,3,4-TRIFLUOROPHENYL ISOTHIOCYANATE, 97
    • Benzene, 1,2,3-trifluoro-4-isothiocyanato- (9CI)
    • 2,3,4-TRIFLUOROPHENYL ISOTHIOCYANATE
    • FT-0642917
    • SCHEMBL3229637
    • SY320723
    • DTXSID10375352
    • J-004135
    • Benzene, 1,2,3-trifluoro-4-isothiocyanato-
    • MFCD02093787
    • 2,3,4-Trifluorophenyl isothiocyanate, 97%
    • AKOS000212143
    • 119474-40-7
    • KTNHZGZWGZUKGE-UHFFFAOYSA-N
    • DB-041471
    • MDL: MFCD02093787
    • Inchi: 1S/C7H2F3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
    • InChI Key: KTNHZGZWGZUKGE-UHFFFAOYSA-N
    • SMILES: S=C=NC1C=CC(=C(C=1F)F)F

Computed Properties

  • Exact Mass: 188.98600
  • Monoisotopic Mass: 188.98600473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 3.6
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.43?g/mL?at 25?°C(lit.)
  • Boiling Point: 210-213?°C(lit.)
  • Flash Point: 104?°C
  • Refractive Index: n20/D 1.577(lit.)
  • PSA: 44.45000
  • LogP: 2.83820
  • Solubility: Not determined

Benzene,1,2,3-trifluoro-4-isothiocyanato- Security Information

  • 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
  • Safety Term:S26-27-36/37/39-45
  • Risk Phrases:R34

Benzene,1,2,3-trifluoro-4-isothiocyanato- 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%

Benzene,1,2,3-trifluoro-4-isothiocyanato- Pricemore >>

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