2-Chloroethyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

80-41-1

Molecular Formula

C9H11ClO3S

Molecular Weight

234.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

157-161 ºC

Boiling Point

153 °C/0.3 mmHg

Density

1.294 g/mL at 25 °C

Refractive Index

n20/D 1.529(lit.)

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OCCCl

InChI

InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3

InChIKey

ZXNMIUJDTOMBPV-UHFFFAOYSA-N

LogP

1.93912

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

250

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

beta-Chloroethylester kyseliny p-toluensulfonove
2-Chloroethanol p-toluenesulfonate
.beta.-Chloroethylester kyseliny p-toluensulfonove
2-chloroethyl-p-toluene sulfonate
InChI=1/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
FT-0619529
beta-chloroethyl p-toluenesulphonate
2-chloroethyl p-toluensulphonate
p-Toluenesulfonic acid-2-chloroethyl ester
2-Chloroethyl 4-methylbenzenesulfonate
Ethanol, 2-chloro-, p-toluenesulfonate
chloroethyltosylate
SCHEMBL263231
Toluene-4-sulfonic acid 2-chloro-ethyl ester
2-chloroethyl-p-toluensulfonate
p-toluenesulfonic acid-beta-chloroethylester
2-chloro ethanol tosylate
beta-CHLOROETHYL-p-TOLUENE SULFONATE
AKOS005258286
ZXNMIUJDTOMBPV-UHFFFAOYSA-
DTXSID20883256
2-CHLOROETHYL 4-TOLUENESULFONATE
p-TOLUENESULFONIC ACID, beta-CHLOROETHYL ESTER
p-Toluenesulfonic acid, .beta.-chloroethyl ester
1-chloro-2-p-toluenesulfonyloxyethane
4-11-00-00249 (Beilstein Handbook Reference)
MFCD00000970
2-chloroethyl-p-toluenesulfonate
p-Toluenesulfonic acid, 2-chloroethyl ester
2-Chloroethyl tosylate
beta-Chloroethylester kyseliny p-toluensulfonove [Czech]

MDL Number

MFCD00000970

FAQ

What are the physical and chemical properties of 2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1)?

2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1) is a crystalline solid with a molecular weight of approximately 242.64 g/mol. It has a low solubility in water (0.15 g/100 mL at 20°C) and is more soluble in organic solvents like dimethylformamide. This compound is reactive, particularly towards nucleophiles and reducing agents, and can undergo substitution reactions.

How is 2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1) typically synthesized?

2-Chloroethyl 4-methylbenzenesulfonate is typically synthesized through the reaction of 4-methylbenzenesulfonic acid with ethyl chloride in the presence of a base like sodium hydroxide. The process involves nucleophilic substitution and typically yields a product with high purity. The reaction is carried out under mild conditions to ensure selectivity and a good yield.

What industries use 2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1)?

2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1) is used in various industries, including pharmaceuticals for synthesis of intermediates, polymers for functional additives, and electronics for semiconductor manufacturing. It also finds applications in sensors as a reagent and in the production of certain chemical intermediates.

What precautions should be taken when handling 2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1)?

When handling 2-Chloroethyl 4-methylbenzenesulfonate (CAS: 80-41-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of fumes. Spills should be handled with caution, and appropriate safety data sheets (SDS) should be consulted for detailed spill procedures. Ensure proper storage in a cool, dry place, away from incompatible materials.