Cas no 206559-57-1 (2,5-difluorophenyl isothiocyanate)

2,5-Difluorophenyl isothiocyanate is a fluorinated aromatic isothiocyanate compound commonly employed as a versatile building block in organic synthesis and pharmaceutical research. Its key advantages include the presence of two fluorine atoms at the 2- and 5-positions, which enhance reactivity and influence electronic properties, making it valuable for introducing fluorinated phenylthiourea moieties into target molecules. The isothiocyanate group readily reacts with amines to form thiourea derivatives, useful in drug discovery and material science applications. The compound’s stability under standard conditions and high purity make it suitable for precise synthetic applications. Its structural features contribute to improved binding affinity and metabolic stability in bioactive molecules.
2,5-difluorophenyl isothiocyanate structure
206559-57-1 structure
Product Name:2,5-difluorophenyl isothiocyanate
CAS No:206559-57-1
MF:C7H3F2NS
MW:171.1672270298
MDL:MFCD00041046
CID:92357
PubChem ID:598621
Update Time:2025-11-02

2,5-difluorophenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2,5-difluorophenyl isothiocyanate
    • 1,4-difluoro-2-isothiocyanatobenzene
    • 2,4-DIFLUOROPHENACYL THIOCYANATE
    • 2,5-difluorobenzenisothiocyanate
    • FT-0610364
    • EN300-1263637
    • AKOS000212449
    • Benzonitrile, 3-ethoxy-4-hydroxy-
    • AS-45920
    • 1,4-bis(fluoranyl)-2-isothiocyanato-benzene
    • CK2527
    • 2,5-Difluorophenyl isothiocyanate, 97%
    • 2,5-difluorophenylisothiocyanate
    • MFCD00041046
    • SCHEMBL1457805
    • 1, 4-difluoro-2-isothiocyanatobenzene
    • 206559-57-1
    • 1,4-Difluoro-2-isothiocyanatobenzene #
    • SY062153
    • J-013499
    • A814782
    • QVIDXDRFMDPVLA-UHFFFAOYSA-N
    • Benzene, 1,4-difluoro-2-isothiocyanato-
    • DTXSID60344659
    • DB-020079
    • DTXCID20295734
    • 1,4-difluoro-2-isothiocyanato-benzene
    • MDL： MFCD00041046
    • Inchi： 1S/C7H3F2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
    • InChI Key： QVIDXDRFMDPVLA-UHFFFAOYSA-N
    • SMILES： S=C=NC1C=C(C=CC=1F)F
    • BRN： 6919911

Computed Properties

  • Exact Mass: 170.99500
  • Monoisotopic Mass: 170.99542660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 179
  • 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: 3.5
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: Yellow liquid
  • Density: 1.338?g/mL?at 25?°C(lit.)
  • Boiling Point: 205?°C(lit.)
  • Flash Point: Fahrenheit: 197.6 ° f < br / > Celsius: 92 ° C < br / >
  • Refractive Index: n20/D 1.602(lit.)
  • PSA: 44.45000
  • LogP: 2.69910
  • Solubility: Hydrolyzable
  • Sensitiveness: Moisture Sensitive

2,5-difluorophenyl isothiocyanate Security Information

  • Symbol: GHS05
  • Signal Word：Danger
  • Hazard Statement： H314
  • Warning Statement： P280-P305+P351+P338-P310
  • Hazardous Material transportation number：2810
  • WGK Germany：3
  • Hazard Category Code： 34
  • Safety Instruction： S26-S27-S36/37/39-S45
  • Hazardous Material Identification： C T
  • Packing Group：II
  • Hazard Level：6.1
  • HazardClass：6.1
  • PackingGroup：II
  • Safety Term：6.1
  • Packing Group：II
  • Risk Phrases：R20/21/22; R36/37/38

2,5-difluorophenyl 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%

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2,5-difluorophenyl isothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:206559-57-1)2,5-difluorophenyl isothiocyanate
Order Number:A1209439
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:58
Price ($):155.0

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Amadis Chemical Company Limited
(CAS:206559-57-1)2,5-difluorophenyl isothiocyanate
A1209439
Purity:99%
Quantity:5g
Price ($):155.0
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