Cas no 175205-43-3 (3-(4'-Chlorobenzenesulfonyl)butyric Acid)

3-(4'-Chlorobenzenesulfonyl)butyric Acid is a chlorinated benzenesulfonyl derivative with a butyric acid side chain, offering versatility as an intermediate in organic synthesis. Its structure combines a sulfonyl group with a carboxylic acid functionality, enabling applications in pharmaceutical and agrochemical research. The 4'-chloro substitution enhances electrophilic reactivity, facilitating selective modifications in cross-coupling or nucleophilic substitution reactions. The butyric acid moiety provides a flexible linker for further derivatization. This compound is particularly valuable in the development of sulfonamide-based compounds, where its balanced hydrophilicity and reactivity support efficient downstream transformations. High purity grades ensure consistent performance in synthetic workflows.
3-(4'-Chlorobenzenesulfonyl)butyric Acid structure
175205-43-3 structure
Product Name:3-(4'-Chlorobenzenesulfonyl)butyric Acid
CAS No:175205-43-3
MF:C10H11ClO4S
MW:262.709941148758
MDL:MFCD00052471
CID:92135
PubChem ID:2739087
Update Time:2025-10-23

3-(4'-Chlorobenzenesulfonyl)butyric Acid Chemical and Physical Properties

Names and Identifiers

    • 3-((4-Chlorophenyl)sulfonyl)butanoic acid
    • 3-(4'-CHLOROBENZENESULFONYL)BUTYRIC ACID
    • 3-(4-CHLOROBENZENESULPHONYL) BUTYRIC ACID
    • 3-[(4-chlorophenyl)sulfonyl]butanoic acid
    • 3-(4-Chlorophenylsulfonyl)butyric acid
    • 3-(4-CHLOROBENZENESULFONYL)BUTYRIC ACID
    • 3-(4-chlorophenyl)sulfonylbutanoic acid
    • AC1MC9VQ
    • AC1Q1QYF
    • ACMC-1CG5H
    • Maybridge3_006195
    • SureCN5741138
    • A811942
    • Butanoic acid, 3-[(4-chlorophenyl)sulfonyl]-
    • FT-0643690
    • BS-21753
    • 3-(4'-chlorobenzenesulfonyl)butyric acid, AldrichCPR
    • BRD-A91438658-001-01-2
    • IDI1_017582
    • BP-13139
    • MFCD00052471
    • 3-(4-chlorobenzenesulphonyl)butyric acid
    • HMS1448J13
    • AKOS009462956
    • ?3-(4-CHLOROBENZENESULFONYL)BUTYRIC ACID
    • 175205-43-3
    • CCG-245506
    • NPUIQANQRDIHLU-UHFFFAOYSA-N
    • Oprea1_533089
    • 3-(4-chlorobenzenesulfonyl)butanoic acid
    • 3-(4-Chlorobenzene-1-sulfonyl)butanoic acid
    • DTXSID80372292
    • SCHEMBL5741138
    • 3-(4-chlorophenylsulfonyl)butanoic acid
    • 3-((4-chlorophenyl)sulfonyl)butyric acid
    • sulfobromophthaleinsodium
    • CS-0206979
    • 3-(4-Chlorophenylsulfonyl)butyricacid
    • DB-044150
    • 3-(4'-Chlorobenzenesulfonyl)butyric Acid
    • MDL: MFCD00052471
    • Inchi: 1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
    • InChI Key: NPUIQANQRDIHLU-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(C(C)CC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 262.00700
  • Monoisotopic Mass: 262.007
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 338
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 79.8A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7

Experimental Properties

  • Color/Form: powder
  • Density: 1.399
  • Boiling Point: 474.1°C at 760 mmHg
  • Flash Point: 240.5°C
  • Refractive Index: 1.558
  • PSA: 79.82000
  • LogP: 3.05770
  • Solubility: Insoluble

3-(4'-Chlorobenzenesulfonyl)butyric Acid Security Information

  • Hazardous Material transportation number:UN3261
  • Hazard Category Code: 41
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Safety Term:8
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:8

3-(4'-Chlorobenzenesulfonyl)butyric Acid 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%

3-(4'-Chlorobenzenesulfonyl)butyric Acid Pricemore >>

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