1. Home
  2. 3-chloro-4-methylsulfonylbenzoic acid

Contact Angene

Tel: +852 8191 6999

Email: [email protected]

Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-chloro-4-methylsulfonylbenzoic acid

OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)C Request for Quotation
Chemical Name: 3-chloro-4-methylsulfonylbenzoic acid
CAS Number: 1197193-45-5
Product Number: AG000PJQ(AGN-PC-09T3XM)
Synonyms:
MDL No: MFCD13191622
Molecular Formula: C8H7ClO4S
Molecular Weight: 234.6568

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
234.65g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
233.975g/mol
Monoisotopic Mass:
233.975g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

Request for Quotation

Customer Feedback

Chemical Structure


3-Chloro-4-(methylsulfonyl)benzoic acid is a versatile compound used in various chemical synthesis reactions. As a key component, it serves as a building block for the production of pharmaceutical intermediates, agrochemicals, and specialty chemicals. Its unique molecular structure allows for the introduction of both chloro and sulfonyl groups in organic synthesis, enabling the creation of complex molecules with specific functionalities.In chemical synthesis, 3-Chloro-4-(methylsulfonyl)benzoic acid is frequently employed as a reagent for the preparation of biologically active compounds such as nonsteroidal anti-inflammatory drugs (NSAIDs) and antibiotics. Its ability to undergo diverse chemical transformations, including nucleophilic substitution and palladium-catalyzed coupling reactions, makes it a valuable asset in the creation of novel compounds with desired properties.Furthermore, this compound has found applications in material science, particularly in the development of functional materials for electronics and optoelectronics. By utilizing 3-Chloro-4-(methylsulfonyl)benzoic acid as a precursor, researchers can access a range of functional derivatives that exhibit specific electronic and optical properties, paving the way for innovation in the field of materials chemistry.