Cas no 141106-52-7 (2,4-Difluorophenyl isothiocyanate)

2,4-Difluorophenyl isothiocyanate structure
141106-52-7 structure
Product Name:2,4-Difluorophenyl isothiocyanate
CAS No:141106-52-7
MF:C7H3F2NS
MW:171.1672270298
MDL:MFCD00041044
CID:64651
PubChem ID:24871059
Update Time:2025-04-18

2,4-Difluorophenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2,4-Difluoro-1-isothiocyanatobenzene
    • 2,4-Difluoro-(isothiocyanato)-benzene
    • 2,4-Difluorophenyl isothiocyanate
    • Isothiocyanic Acid 2,4-Difluorophenyl Ester
    • 2,4-difluoro(isothiocyanato)benzene
    • 2,4-difluoro-1-isothiocyanato-benzene
    • 2,4-difluorophenylisothiocyanate
    • Benzene, 2,4-difluoro-1-isothiocyanato-
    • ABGGPKIFVAIRGU-UHFFFAOYSA-N
    • 2,4-difluorobenzenisothiocyanate
    • PubChem4451
    • benzene, 2,4-difluoro-1-isothiocyanato- (9ci)
    • KSC494O1F
    • O
    • D3454
    • MFCD00041044
    • BP-12921
    • 141106-52-7
    • 2,4-Difluorophenyl isothiocyanate, 98%
    • FT-0610078
    • EN300-01243
    • 2,4-difluoro-phenyl isothiocyanate
    • 2,4-Difluoro-1-isothiocyanato-benzen;isothiocyanic acid 2,4-difluorophenyl ester
    • SY048957
    • SCHEMBL156589
    • CK1145
    • 2,4-Difluoro-1-isothiocyanatobenzene #
    • A21652
    • AC-9798
    • AKOS001358595
    • DTXSID00333840
    • PS-10298
    • DB-019944
    • STK802373
    • BBL027962
    • MDL: MFCD00041044
    • Inchi: 1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
    • InChI Key: ABGGPKIFVAIRGU-UHFFFAOYSA-N
    • SMILES: S=C=NC1C=CC(=CC=1F)F
    • BRN: 6919744

Computed Properties

  • Exact Mass: 170.99500
  • Monoisotopic Mass: 170.995
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • 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

Experimental Properties

  • Color/Form: Yellow or colorless liquid with pungent smell
  • Density: 1.349?g/mL?at 25?°C(lit.)
  • Boiling Point: 86°C/8mmHg(lit.)
  • Flash Point: Fahrenheit: 199.4 ° f < br / > Celsius: 93 ° C < br / >
  • Refractive Index: n20/D 1.598(lit.)
  • PSA: 44.45000
  • LogP: 2.69910
  • Solubility: Not determined
  • Sensitiveness: Moisture Sensitive

2,4-Difluorophenyl isothiocyanate Security Information

  • Symbol: GHS07
  • Prompt:dangerous
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:2810
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S23-S26-S36
  • Hazardous Material Identification: Xi
  • HazardClass:9
  • PackingGroup:III
  • Storage Condition:Store at room temperature
  • Packing Group:III
  • Hazard Level:6.1
  • Risk Phrases:R36/37/38
  • Packing Group:III
  • Safety Term:6.1

2,4-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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2,4-Difluorophenyl isothiocyanate Production Method

2,4-Difluorophenyl isothiocyanate Related Literature

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