Cas no 404-72-8 (1-fluoro-3-isothiocyanatobenzene)

1-fluoro-3-isothiocyanatobenzene structure
404-72-8 structure
Product Name:1-fluoro-3-isothiocyanatobenzene
CAS No:404-72-8
MF:C7H4FNS
MW:153.176763534546
MDL:MFCD00004804
CID:82273
PubChem ID:9834
Update Time:2025-04-18

1-fluoro-3-isothiocyanatobenzene Chemical and Physical Properties

Names and Identifiers

    • 3-fluorophenyl isothiocyanate
    • 1-fluoro-3-isothiocyanatobenzene
    • C7H4FNS
    • Isothiocyanic Acid 3-Fluorophenyl Ester
    • m-Fluorophenyl isothiocyanat
    • Benzene, 1-fluoro-3-isothiocyanato-
    • m-Fluorophenyl isothiocyanate
    • 3-fluorophenylisothiocyanate
    • ISOTHIOCYANIC ACID, m-FLUOROPHENYL ESTER
    • 1-fluoro-3-isothiocyanato-benzene
    • HDBACITVPQEAGG-UHFFFAOYSA-N
    • 3-fluorobenzenisothiocyanate
    • 3-FLUOROISOTHIOCYANATOBENZENE
    • 3-FLUORO-3-ISOTHIOCYANATO-BENZENE
    • NSC 78432
    • F0643
    • J-802114
    • F0001-1146
    • NSC-78432
    • SY012573
    • GEO-01424
    • J-800215
    • 3-fluoro-phenyl isothiocyanate
    • 3-Fluorophenyl isothiocyanate, 99%
    • 6-(Cbz-amino)-3-pyridazinecarboxylicAcid
    • EINECS 206-967-7
    • 3-12-00-01276 (Beilstein Handbook Reference)
    • WLN: SCNR CF
    • SCHEMBL723373
    • EN300-172403
    • PS-10311
    • FT-0615734
    • J-640213
    • 2-Fluoro-5-3FmEtphenyl isocyanate
    • MFCD00004804
    • NS00043204
    • BRN 2081172
    • CK2525
    • NSC78432
    • 404-72-8
    • AKOS000212297
    • W-200357
    • DTXSID5059955
    • 1-Fluoro-3-isothiocyanatobenzene #
    • BBL010004
    • STK801393
    • DB-049596
    • DTXCID1039761
    • ALBB-021408
    • MDL： MFCD00004804
    • Inchi： 1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
    • InChI Key： HDBACITVPQEAGG-UHFFFAOYSA-N
    • SMILES： S=C=NC1C=CC=C(C=1)F
    • BRN： 2081172

Computed Properties

  • Exact Mass: 153.00500
  • Monoisotopic Mass: 153.004848
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 154
  • 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: Not available
  • Density: 1.27?g/mL?at 25?°C(lit.)
  • Boiling Point: 227°C(lit.)
  • Flash Point: Degrees Fahrenheit:185°F
    Degrees Celsius:85°C
  • Refractive Index: n20/D 1.62(lit.)
  • PSA: 44.45000
  • LogP: 2.56000
  • Solubility: Not available
  • Sensitiveness: Moisture Sensitive

1-fluoro-3-isothiocyanatobenzene Security Information

  • Symbol: GHS05 GHS07
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H302,H312,H314,H332,H335
  • Warning Statement： P261,P280,P305+P351+P338,P310
  • Hazardous Material transportation number：UN 3265 8/PG 2
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-34-36/37
  • Safety Instruction： S26; S27; S36/37/39; S45
  • RTECS：NX8750000
  • Hazardous Material Identification： C
  • Packing Group：III
  • Hazard Level：8
  • HazardClass：8
  • PackingGroup：III
  • TSCA：T
  • Storage Condition：2-8°C
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R20/21/22; R34; R36/37; R36/37/38

1-fluoro-3-isothiocyanatobenzene 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%

1-fluoro-3-isothiocyanatobenzene Pricemore >>

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