Cas no 206761-88-8 (Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-)

Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- structure
206761-88-8 structure
Product Name:Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-
CAS No:206761-88-8
MF:C7HCl4NS
MW:272.966536283493
CID:241721
PubChem ID:4677634
Update Time:2025-04-19

Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-
    • 1,2,3,4-tetrachloro-5-isothiocyanatobenzene
    • 2,3,4,5-Tetrachlorophenylisothiocyanate
    • 2,3']BITHIOPHENYL-5-CARBOXYLIC ACID
    • Benzene,1,2,3,4-tetrachloro-5-isothiocyanato
    • 206761-88-8
    • FT-0609339
    • NUNOYNAFGFABBD-UHFFFAOYSA-N
    • DTXSID60405476
    • 2,3,4,5-TETRACHLOROPHENYL ISOTHIOCYANATE
    • SCHEMBL1457299
    • Inchi: 1S/C7HCl4NS/c8-3-1-4(12-2-13)6(10)7(11)5(3)9/h1H
    • InChI Key: NUNOYNAFGFABBD-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C(=CC=1N=C=S)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 270.85800
  • Monoisotopic Mass: 270.858381g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 231
  • 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: 5.8
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Density: 1.63
  • Boiling Point: 373.5°C at 760 mmHg
  • Flash Point: 179.7°C
  • Refractive Index: 1.649
  • PSA: 44.45000
  • LogP: 5.03450

Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Security Information

  • Safety Instruction: S26-S36/37/39
  • Safety Term:S26;S36/37/39
  • Risk Phrases:R20/21/22; R36/37/38

Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Related Literature

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