Cas no 16794-67-5 (4-Chlorobenzoyl Isothiocyanate)

4-Chlorobenzoyl Isothiocyanate structure
16794-67-5 structure
Product Name:4-Chlorobenzoyl Isothiocyanate
CAS No:16794-67-5
MF:C8H4ClNOS
MW:197.641459465027
MDL:MFCD00041104
CID:191421
PubChem ID:232162
Update Time:2025-04-19

4-Chlorobenzoyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzoyl isothiocyanate,4-chloro-
    • 4-Chlorobenzoyl isothiocyanate
    • p-Chlorobenzoyl Isothiocyanate
    • CHLOROBENZOYL ISOTHIOCYANATE
    • 4-Chlorobenzoyl isothiocyate, 98%
    • AKOS001058078
    • DTXSID70283040
    • BS-42139
    • HMS1787H13
    • 4-Chlorobenzoylisothiocyanate
    • A810923
    • MFCD00041104
    • EN300-17613
    • Benzoyl isothiocyanate, 4-chloro-
    • 4-Chlorobenzoyl-isothiocyanate
    • 4-chloro-1-benzenecarbonyl isothiocyanate
    • NSC29260
    • NSC-29260
    • p-Chlorbenzoylisothiocyanat
    • FT-0637428
    • 16794-67-5
    • BP-12891
    • SCHEMBL199868
    • 4-Chlorobenzoyl Isothiocyanate
    • MDL： MFCD00041104
    • Inchi： 1S/C8H4ClNOS/c9-7-3-1-6(2-4-7)8(11)10-5-12/h1-4H
    • InChI Key： OTZBZZNWOAIAEN-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(C(N=C=S)=O)=CC=1

Computed Properties

  • Exact Mass: 196.97000
  • Monoisotopic Mass: 196.9702126g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 217
  • 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: 3.8
  • Topological Polar Surface Area: 61.5?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 45 °C
  • PSA: 61.52000
  • LogP: 2.58300
  • Solubility: Not determined

4-Chlorobenzoyl Isothiocyanate Security Information

  • Hazardous Material transportation number：2927
  • Hazard Category Code： 20/21/22-34
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： Xi C
  • HazardClass：IRRITANT, CORROSIVE
  • Risk Phrases：R20/21/22
  • Safety Term：S26-36/37/39

4-Chlorobenzoyl 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-Chlorobenzoyl Isothiocyanate Pricemore >>

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4-Chlorobenzoyl Isothiocyanate Production Method

4-Chlorobenzoyl Isothiocyanate Related Literature

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