Cas no 362601-84-1 (2-Chloro-4-Fluorophenyl Isothiocyanate)

2-Chloro-4-Fluorophenyl Isothiocyanate structure
362601-84-1 structure
Product Name:2-Chloro-4-Fluorophenyl Isothiocyanate
CAS No:362601-84-1
MF:C7H3ClFNS
MW:187.621822595596
MDL:MFCD03093792
CID:297136
PubChem ID:2757581
Update Time:2025-04-19

2-Chloro-4-Fluorophenyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-fluoro-1-isothiocyanatobenzene
    • Benzene,2-chloro-4-fluoro-1-isothiocyanato-
    • 2-chloro-4-fluorophenylisothiocyanate
    • AC1MBW74
    • AC1Q4LNE
    • AG-F-26264
    • CTK4H6167
    • Benzene, 2-chloro-4-fluoro-1-isothiocyanato- (9CI)
    • 362601-84-1
    • 2-Chloro-4-Fluorophenyl Isothiocyanate
    • DTXSID50373953
    • MFCD03093792
    • SY075187
    • JJFVJADZDGFVMQ-UHFFFAOYSA-N
    • SCHEMBL2700207
    • AKOS009301533
    • MDL: MFCD03093792
    • Inchi: 1S/C7H3ClFNS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H
    • InChI Key: JJFVJADZDGFVMQ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1N=C=S)F

Computed Properties

  • Exact Mass: 186.96599
  • Monoisotopic Mass: 186.966
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 181
  • 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
  • XLogP3: 4.1
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • PSA: 12.36

2-Chloro-4-Fluorophenyl Isothiocyanate Pricemore >>

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