Cas no 100-03-8 (Benzenesulfinic acid,4-chloro-)

Benzenesulfinic acid,4-chloro- structure
100-03-8 structure
Product Name:Benzenesulfinic acid,4-chloro-
CAS No:100-03-8
MF:C6H5ClO2S
MW:176.620699644089
CID:134922
PubChem ID:66847
Update Time:2024-11-04

Benzenesulfinic acid,4-chloro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfinic acid,4-chloro-
    • p-chlorobenzenesulphinic acid
    • 4-Chlor-benzolsulfinsaeure
    • 4-Chlorobenzenesulfinicacid
    • 4-chlorobenzenesulphinic acid
    • P-CHLORO BENZENE SULFINIC ACID
    • W-108980
    • NS00022933
    • UNII-RK78NW65EY
    • 100-03-8
    • 4-Chlorobenzenesulfinic acid
    • NCIOpen2_000194
    • 4-chlorobenzene-1-sulfinic acid
    • Benzenesulfinic acid, p-chloro-
    • Benzenesulfinic acid, 4-chloro-
    • EINECS 202-812-2
    • Q27288162
    • AKOS006272413
    • 4-chloro-benzenesulfinic acid
    • BS-49306
    • RK78NW65EY
    • 4-11-00-00006 (Beilstein Handbook Reference)
    • DTXSID5024768
    • p-Chlorobenzenesulfinic acid
    • F71118
    • CHEMBL1615455
    • BRN 2356583
    • CHLOROBENZENESULFINIC ACID, 4-
    • SCHEMBL1827251
    • Inchi: 1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
    • InChI Key: AOQYAMDZQAEDLO-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(=O)O

Computed Properties

  • Exact Mass: 175.97000
  • Monoisotopic Mass: 175.969878
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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: 1.8
  • Topological Polar Surface Area: 56.5

Experimental Properties

  • Color/Form: solid
  • Density: 1.3872 (estimate)
  • Melting Point: 93 - 95 C
  • Boiling Point: 251°C (estimate)
  • Flash Point: 173.9°C
  • Refractive Index: 1.694
  • PSA: 56.51000
  • LogP: 2.78630

Benzenesulfinic acid,4-chloro- Security Information

  • Storage Condition:Low temperature ventilation and drying in warehouse

Benzenesulfinic acid,4-chloro- 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%

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