Benzenesulfonyl chloride, 4-propoxy-


Chemical Name: Benzenesulfonyl chloride, 4-propoxy-
CAS Number: 58076-32-7
Product Number: AG00EKGM(AGN-PC-0NI78T)
Synonyms:
MDL No:
Molecular Formula: C9H11ClO3S
Molecular Weight: 234.6998

Identification/Properties


Computed Properties
Molecular Weight:
234.694g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
234.012g/mol
Monoisotopic Mass:
234.012g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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:
Danger
UN#:
3261
Hazard Statements:
H302+H312+H332-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Propoxybenzene-1-sulfonyl chloride, also known as "name", is a versatile chemical compound commonly used in organic synthesis as a sulfonylating agent. This reagent is specifically employed in the protection and functionalization of various functional groups in organic molecules.One of the key applications of 4-Propoxybenzene-1-sulfonyl chloride in chemical synthesis is its role in the formation of sulfonamides. By reacting with amines, this compound facilitates the introduction of a sulfonyl group, leading to the synthesis of sulfonamide derivatives. Sulfonamides are important structural motifs found in many pharmaceuticals and bioactive compounds, making the use of 4-Propoxybenzene-1-sulfonyl chloride crucial in drug discovery and development.Additionally, 4-Propoxybenzene-1-sulfonyl chloride can be utilized in the preparation of sulfonylurea compounds, which are widely employed as herbicides and pharmaceuticals. Through selective sulfonylation reactions, this reagent enables the introduction of sulfonylurea moieties onto specific positions of target molecules, allowing for the fine-tuning of their chemical and biological properties.Furthermore, the high reactivity and compatibility of 4-Propoxybenzene-1-sulfonyl chloride make it a valuable tool in the synthesis of complex organic molecules, enabling chemists to manipulate and modify the structure of compounds with precision. Its unique chemical properties and versatility make it a key component in the toolbox of synthetic chemists for the development of novel materials and bioactive molecules.