2-Chloroethyl 4-methylbenzenesulfonate

Name: 2-Chloroethyl 4-methylbenzenesulfonate
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CAS No. 80-41-1
Cat. No. CS-0130585
Purity≥97%
MDL No.MFCD00000970

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Chloroethyl 4-methylbenzenesulfonate|CS-0130585

Structure of 80-41-1

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Application

2-Chloroethyl 4-methylbenzenesulfonate serves as a reliable alkylating agent for nucleophilic substitution reactions, enabling efficient introduction of the 2-chloroethyl group under mild conditions. Its bench-stable nature and compatibility with diverse nucleophiles—such as amines, thiols, and carboxylates—facilitate straightforward functionalization in synthetic workflows. The tosylate moiety provides excellent leaving group ability, while the methyl-substituted aromatic ring enhances stability and ease of purification. This reagent is particularly valuable in constructing bioactive scaffolds and modifying peptides or small molecules where selective alkylation is required.

General Information

CAS No. 80-41-1
Cat. No. CS-0130585
Purity ≥97%
MDL No. MFCD00000970
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁ClO₃S
Molecular Weight 234.70
Synonym(s) p-Toluenesulphonic acid 2-chloroethyl ester
SMILES CC1=CC=C(S(=O)(OCCCl)=O)C=C1

Computational Chemistry Data

TPSA 43.37
LogP 1.93912
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 4

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloroethyl 4-methylbenzenesulfonate

CAS No. 80-41-1

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