CAS 515-46-8

Ethyl benzenesulfonate

Description:

Ethyl benzenesulfonate, with the CAS number 515-46-8, is an organic compound characterized by the presence of both an ethyl group and a benzenesulfonate moiety. It typically appears as a colorless to pale yellow liquid and is known for its aromatic properties due to the benzene ring. This compound is soluble in organic solvents and exhibits limited solubility in water, which is common for sulfonate esters. Ethyl benzenesulfonate is primarily used in organic synthesis, particularly as a sulfonating agent or as an intermediate in the production of various chemical compounds. Its reactivity is attributed to the sulfonate group, which can participate in nucleophilic substitution reactions. Additionally, it may have applications in the development of pharmaceuticals and agrochemicals. Safety considerations include handling it with care, as it may cause irritation to the skin and eyes. Proper storage in a cool, dry place, away from incompatible substances, is essential to maintain its stability and efficacy.

Formula: C₈H₁₀O₃S

InChI: InChI=1/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI key: InChIKey=XDRMBCMMABGNMM-UHFFFAOYSA-N

SMILES: S(OCC)(=O)(=O)C1=CC=CC=C1

Synonyms:

• Benzenesulfinic acid Ethyl Ester
• Benzenesulfonic acid ethyl ester
• Ethyl Benzenesulfonate
• Ethyl phenylsulfonate
• Ethylbenzenesulfonate
• NSC 3217
• Ethyl benzensulfonate
• Ethyl benzenesulphonate
• Ethylbenzensulphonate
• BENZENESULFONIC ACID ETHYL ESTER 97+%

Ethyl Benzenesulfonate

CAS: 515-46-8

Formula: C₈H₁₀O₃S

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 186.23

Ref: 3B-B0032

Ethyl benzenesulfonate

CAS: 515-46-8

Formula: C₈H₁₀O₃S

Purity: 90%

Color and Shape: Liquid

Molecular weight: 186.2282

Ref: IN-DA003QEA

Ethyl Benzenesulfonate

CAS: 515-46-8

Formula: C₈H₁₀O₃S

Color and Shape: Colourless Liquid

Molecular weight: 186.23

Ref: 4Z-B-4411

Benzenesulfonic acid ethyl ester

CAS: 515-46-8

Benzenesulfonic acid ethyl ester

Purity: 98%

Molecular weight: 186.23g/mol

Ref: 54-OR924979

Ethyl benzenesulfonate-13C6

CAS: 515-46-8

Formula: C₂₁₃C₆H₁₀O₃S

Molecular weight: 192.18

Ref: 4Z-B-4413

Ethyl Benzenesulfonate

CAS: 515-46-8

Applications A sulfonate ester as potential genotoxic impurity in drug substances. It may exert genotoxic effects in bacterial and mammalian cell systems.
References Eder, E., et al.: Xenobiotica, 12, 831 (1982), Li, W., et al.: J. Chromatogr., 1046, 297 (2004), Glowienke, S., et al.: Mutat. Res., 581, 23 (2005), Colon, I., et al.: J. Pharm. Biomed. Anal., 39, 477 (2005),

Formula: C₈H₁₀O₃S

Color and Shape: Colourless

Molecular weight: 186.23

Ref: TR-E708000

Ethyl benzenesulfonate

CAS: 515-46-8

Formula: C₈H₁₀O₃S

Purity: 98%

Color and Shape: Liquid

Molecular weight: 186.23

Ref: 10-F324113