Cas no 23165-49-3 (2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate)

2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate structure
23165-49-3 structure
Product Name:2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate
CAS No:23165-49-3
MF:C8H3ClF3NS
MW:237.629329919815
MDL:MFCD00041055
CID:88420
PubChem ID:24871062
Update Time:2025-04-18

2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-trifluoromethylphenyl isothiocyanate
    • 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate
    • 1-chloro-2-isothiocyanato-4-(trifluoromethyl)benzene
    • 2-Chlor-5-trifluormethyl-phenylisothiocyanat
    • NSC 172980
    • A816605
    • NSC-172980
    • Benzene, 1-chloro-2-isothiocyanato-4-(trifluoromethyl)-
    • 2-chloro-5-(trifluoromethyl)phenylisothiocyanate
    • AKOS001044135
    • FT-0611810
    • Benzene,1-chloro-2-isothiocyanato-4-(trifluoromethyl)-
    • NSC172980
    • DTXSID00177746
    • 2-chloro-5-trifluoromethyl-phenylisothiocyanate
    • SY032178
    • MFCD00041055
    • Z56899186
    • J-015020
    • EN300-01246
    • 23165-49-3
    • SCHEMBL1457064
    • 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate, 98%
    • PS-10275
    • G77558
    • DB-020848
    • STK801392
    • BBL010002
    • 2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate
    • MDL： MFCD00041055
    • Inchi： 1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
    • InChI Key： KHTMKXDMVYHDSY-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(C(F)(F)F)=CC=1N=C=S
    • BRN： 2112809

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: 4.8
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: Grayish yellow liquid, pungent smell.2. density (g/ml, 25/4 ℃)
  • Density: 1.447?g/mL?at 25?°C(lit.)
  • Boiling Point: 239?°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.57(lit.)
  • Solubility: Insuluble (7.8E-3 g/L) (25 oC),
  • PSA: 44.45000
  • LogP: 4.09310
  • Sensitiveness: Stench

2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate Security Information

2-Chloro-5-(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%

2-Chloro-5-(trifluoromethyl)phenyl Isothiocyanate Pricemore >>

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