Cas no 10486-51-8 (4-Chlorosulfonyl-benzoic acid ethyl ester)

4-Chlorosulfonyl-benzoic acid ethyl ester structure
10486-51-8 structure
Product Name:4-Chlorosulfonyl-benzoic acid ethyl ester
CAS No:10486-51-8
MF:C9H9ClO4S
MW:248.683360815048
MDL:MFCD00121815
CID:118635
PubChem ID:3667622
Update Time:2024-11-03

4-Chlorosulfonyl-benzoic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-(chlorosulfonyl)benzoate
    • 4-Chlorosulfonyl-Benzoic Acid Ethyl Ester
    • Benzoic acid,4-(chlorosulfonyl)-, ethyl ester
    • ethyl 4-(chlorosulfonyl)benzoate(SALTDATA: FREE)
    • 4-CHLOROSULFONYL-BENZOICACIDETHYLESTER
    • SCHEMBL343869
    • 4-Ethoxycarbonylbenzenesulfonyl Chloride
    • F21006
    • 10486-51-8
    • EN300-04521
    • BB 0220619
    • MFCD00121815
    • AKOS002665964
    • Z56867238
    • BS-14006
    • Benzoic acid, 4-(chlorosulfonyl)-, ethyl ester
    • 4-carbethoxybenzenesulfonyl chloride
    • 4-chlorosulfonylbenzoic acid ethyl ester
    • DTXSID90394844
    • 4-chlorosulfonyl-benzoic acid ethyl ester, AldrichCPR
    • Ethyl 4-chlorosulfonylbenzoate
    • CS-0212990
    • Ethyl4-(chlorosulfonyl)benzoate
    • MRNJSMNKWNPSDN-UHFFFAOYSA-N
    • 4-(Ethoxycarbonyl)benzenesulfonyl chloride
    • Ethyl 4-Chlorosulfonyl-benzoate
    • STL183250
    • 4-Chlorosulfonyl-benzoic acid ethyl ester
    • MDL: MFCD00121815
    • Inchi: 1S/C9H9ClO4S/c1-2-14-9(11)7-3-5-8(6-4-7)15(10,12)13/h3-6H,2H2,1H3
    • InChI Key: MRNJSMNKWNPSDN-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C(=O)OCC)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 247.99107
  • Monoisotopic Mass: 247.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 312
  • 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: 2.8
  • Topological Polar Surface Area: 68.8A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.4±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 346.0±25.0 °C at 760 mmHg
  • Flash Point: 163.0±23.2 °C
  • Refractive Index: 1.534
  • PSA: 60.44
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-Chlorosulfonyl-benzoic acid ethyl ester Pricemore >>

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