Cas no 3965-53-5 (Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester)

Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester structure
3965-53-5 structure
Product Name:Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester
CAS No:3965-53-5
MF:C16H14O6S
MW:334.343763828278
MDL:MFCD00554862
CID:310859
PubChem ID:77583
Update Time:2025-04-19

Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester
    • methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
    • 4,4′-Sulfonylbis(Methyl benzoate)
    • 4,4'-dicarbom
    • 4,4'-Sulfonyl-di-benzoesaeure-dimethylester
    • 4,4'-sulfonyl-di-benzoic acid dimethyl ester
    • Benzoic acid,4,4'-sulfonylbis-,dimethyl ester
    • Benzoic acid,4,4'-sulfonyldi-,dimethyl ester
    • Bis-(4-methoxycarbonyl-phenyl)-sulfon
    • dimethyl 4,4'-sulfonylbis(benzoate)
    • Dimethyl 4,4'-sulfonyldibenzoate
    • Dimethyl 4,4'-sulphonyldibenzoate
    • DIMETHYL DIPHENYL SULFONE 4,4'-DICARBOXYLATE
    • Diphenylsulfon-dicarbonsaeure-(4.4')-dimethylester
    • methyl 4-{[4-(methoxycarbonyl)phenyl]sulfonyl}benzoate
    • NS00049357
    • Benzoic acid, 4,4'-sulfonyldi-, dimethyl ester
    • FT-0712669
    • AKOS024364965
    • 3965-53-5
    • DTXSID00192757
    • EINECS 223-577-2
    • YQYRQRUZQNRJIW-UHFFFAOYSA-N
    • Benzoic acid, sulfonyl di-p,p'-dimethyl ester
    • SCHEMBL68518
    • Benzoic acid, 4,4'-sulfonylbis-, dimethyl ester
    • 4,4'-Sulfonylbis(methyl benzoate)
    • MDL： MFCD00554862
    • Inchi： 1S/C16H14O6S/c1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2/h3-10H,1-2H3
    • InChI Key： YQYRQRUZQNRJIW-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C(=O)OC)=CC=1)(C1C=CC(C(=O)OC)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 334.05100
  • Monoisotopic Mass: 334.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 477
  • 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: nothing
  • Topological Polar Surface Area: 95.1A^2

Experimental Properties

  • Color/Form: White or light gray powder
  • Density: 1.3994 (rough estimate)
  • Melting Point: 195-196?°C(lit.)
  • Boiling Point: 441.15°C (rough estimate)
  • Flash Point: 259.5°C
  • Refractive Index: 1.5300 (estimate)
  • PSA: 95.12000
  • LogP: 3.17340
  • Solubility: Not determined

Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester Security Information

  • WGK Germany：3
  • Safety Instruction： S24/25
  • Safety Term：S24/25

Benzoic acid,4,4'-sulfonylbis-, 1,1'-dimethyl ester Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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