Cas no 1000933-19-6 (Methyl 4-chloro-3-(chlorosulfonyl)benzoate)

Methyl 4-chloro-3-(chlorosulfonyl)benzoate is a versatile sulfonylating and esterifying reagent used in organic synthesis. Its key structural features—the reactive chlorosulfonyl group and ester functionality—enable its use in constructing sulfonamides, sulfonate esters, and other derivatives. The compound is particularly valuable in pharmaceutical and agrochemical intermediates due to its ability to introduce both sulfonyl and ester groups in a single step. Its stability under standard storage conditions and compatibility with a range of reaction conditions further enhance its utility. The presence of the chloro substituent also allows for further functionalization, making it a useful building block in multistep syntheses.
Methyl 4-chloro-3-(chlorosulfonyl)benzoate structure
1000933-19-6 structure
Product Name:Methyl 4-chloro-3-(chlorosulfonyl)benzoate
CAS No:1000933-19-6
MF:C8H6Cl2O4S
MW:269.101839542389
MDL:MFCD09816501
CID:2126771
PubChem ID:18071846
Update Time:2025-06-07

Methyl 4-chloro-3-(chlorosulfonyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-chloro-3-chlorosulfonyl-benzoate
    • methyl 4-chloro-3-(chlorosulfonyl)benzoate
    • SXAYTEZGGGOESJ-UHFFFAOYSA-N
    • NE14519
    • methyl 4-chloro-3-(chlorosulfonyl)benzoate, AldrichCPR
    • AKOS000166359
    • G22332
    • 1000933-19-6
    • methyl4-chloro-3-(chlorosulfonyl)benzoate
    • J-000042
    • methyl 4-chloro-3-chlorosulfonylbenzoate
    • Z285673148
    • CS-0205773
    • DB-308332
    • BS-29892
    • EN300-31348
    • SCHEMBL1495720
    • MFCD09816501
    • Methyl 4-chloro-3-(chlorosulfonyl)benzoate
    • MDL： MFCD09816501
    • Inchi： 1S/C8H6Cl2O4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3
    • InChI Key： SXAYTEZGGGOESJ-UHFFFAOYSA-N
    • SMILES： ClC1=CC=C(C(=O)OC)C=C1S(=O)(=O)Cl

Computed Properties

  • Exact Mass: 267.9363852g/mol
  • Monoisotopic Mass: 267.9363852g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 335
  • 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
  • Topological Polar Surface Area: 68.8
  • XLogP3: 2.4

Methyl 4-chloro-3-(chlorosulfonyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
OR955980-250mg
Methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 96%
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Enamine
EN300-31348-0.05g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
0.05g
 $57.0 2025-02-20
Enamine
EN300-31348-0.1g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
0.1g
 $84.0 2025-02-20
Enamine
EN300-31348-0.25g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
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Enamine
EN300-31348-0.5g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
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 $188.0 2025-02-20
Enamine
EN300-31348-1.0g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
1.0g
 $241.0 2025-02-20
Enamine
EN300-31348-2.5g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
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 $411.0 2025-02-20
Enamine
EN300-31348-5.0g
methyl 4-chloro-3-(chlorosulfonyl)benzoate
 1000933-19-6 95.0%
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 $692.0 2025-02-20

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