Ethyl Benzenesulfonate

Basic Information

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CAS Number

515-46-8

Molecular Formula

C8H10O3S

Molecular Weight

186.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

156°C/15mmHg

Flash Point

125.5ºC

Refractive Index

1.5090-1.5110

SMILES

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CCOS(=O)(=O)C1=CC=CC=C1

InChI

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

InChIKey

XDRMBCMMABGNMM-UHFFFAOYSA-N

LogP

1.4118000000000002

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

209

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

Sensitive to air and moisture

Synonyms & References

English

DTXSID7075428
NS00032300
SCHEMBL347302
515-46-8
CCRIS 9155
BENZENESULFONICACIDETHYLESTER
InChI=1/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
XDRMBCMMABGNMM-UHFFFAOYSA-
AC8062
FT-0622646
B0032
EINECS 208-200-1
UNII-09424QHU6Q
DS-6022
ethoxysulfonylbenzene
Benzenesulfonic acid ethyl ester
MFCD00025033
Benzenesulfonic acid, ethyl ester
Q27236452
Ethyl benzensulfonate
BENZENESULFONIC ACID ETHYL ESTER [MI]
AKOS006230587
NSC 3217
Ethyl Phenylsulfonate
Ethyl benzenesulphonate
NSC3217
ethyl benzene sulfonate
SY053068
09424QHU6Q
NSC-3217
ETHYL BENZENESULFONATE

MDL Number

MFCD00025033

FAQ

What regulatory guidelines apply to Ethyl Benzenesulfonate (CAS: 515-46-8)?

Ethyl benzenesulfonate (CAS: 515-46-8) is subject to regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and FDA and EPA guidelines in the United States. It is important to comply with these regulations for safe handling, storage, and transportation. Manufacturers and importers must also ensure adherence to local and international safety data sheets (SDS) and material safety data sheets (MSDS) requirements.

Are there alternatives to Ethyl Benzenesulfonate (CAS: 515-46-8) in synthesis?

Ethyl benzenesulfonate (CAS: 515-46-8) has several alternatives in synthesis, including other sulfonates such as methyl benzenesulfonate and para-toluenesulfonate. Isomers like ortho- and meta-benzenesulfonates can also be used. In some cases, alternative reagents like p-toluenesulfonic acid (PTSA) might be preferred due to their availability and reactivity in specific reaction conditions.

What is the market or research trend for Ethyl Benzenesulfonate (CAS: 515-46-8)?

The market for ethyl benzenesulfonate (CAS: 515-46-8) is driven by its use in pharmaceuticals and fine chemicals. Recent research trends focus on exploring its potential in green chemistry applications and developing more sustainable synthesis methods. Market dynamics include increasing demand in the pharmaceutical industry, while price trends show stability with minor fluctuations due to supply chain factors and raw material costs.

How should waste containing Ethyl Benzenesulfonate (CAS: 515-46-8) be handled?

Waste containing ethyl benzenesulfonate (CAS: 515-46-8) should be collected and handled according to proper hazardous waste management protocols. It is advisable to use appropriate safety equipment and ensure segregation from other waste types. Waste disposal should be conducted by a licensed hazardous waste management company. Environmental protection precautions include minimizing the release of the compound into the environment and ensuring compliance with local environmental regulations and guidelines.