Cas no 23163-86-2 (4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate)

4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate structure
23163-86-2 structure
Product Name:4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate
CAS No:23163-86-2
MF:C8H3ClF3NS
MW:237.629329919815
MDL:MFCD00041090
CID:88416
PubChem ID:520026
Update Time:2025-04-18

4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-3-trifluoromethylphenyl isothiocyanate
    • 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate
    • 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
    • 1-CHLORO-4-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE
    • 3-trifluoromethyl-4-chlorophenyl isothiocyanate
    • 4-chloro-3-(trifluoromethyl)phenylisothiocyanate
    • FT-0618055
    • 4-chloro-3-trifluoromethylphenylisothiocyanate
    • EN300-24513859
    • MFCD00041090
    • PS-10274
    • 1-chloro-4-isothiocyanato-2-trifluoromethylbenzene
    • 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate, 97%
    • SY062091
    • 4-chloro-3-trifluoromethyl-phenylisothiocyanate
    • AKOS003355346
    • 1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene #
    • SCHEMBL881834
    • J-015018
    • 4-Chloro-3-(trifluoromethyl)-phenylisothiocyanate
    • A816602
    • Benzene, 1-chloro-4-isothiocyanato-2-(trifluoromethyl)-
    • DTXSID30334229
    • 4-chloro-3 -trifluoromethylphenylisothiocyanate
    • 4-chloro-3-trifluoromethylphenyl-isothiocyanate
    • 23163-86-2
    • DB-046093
    • G77567
    • 4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate
    • MDL: MFCD00041090
    • Inchi: 1S/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
    • InChI Key: AHFPRSSHNSGRCU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1C(F)(F)F)N=C=S
    • BRN: 787371

Computed Properties

  • Exact Mass: 236.96300
  • Monoisotopic Mass: 236.9626825g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 250
  • 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: nothing
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: Grayish yellow liquid, pungent odor 2. density (g/ml, 25/4 ℃)
  • Density: 1.47?g/mL?at 25?°C(lit.)
  • Melting Point: 34 °C
  • Boiling Point: 248-251?°C(lit.)
  • Flash Point: 248-251°C
  • Refractive Index: n20/D 1.5905(lit.)
  • PSA: 44.45000
  • LogP: 4.09310
  • Sensitiveness: Stench
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate Security Information

  • Signal Word:warning
  • Hazard Statement: Harmful/Stench
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26; S27; S36/37/39; S45
  • Hazardous Material Identification: C T
  • HazardClass:6.1
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R34
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

4-Chloro-3-(trifluoromethyl)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%

4-Chloro-3-(trifluoromethyl)phenyl Isothiocyanate Pricemore >>

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