139218-48-7

Basic information

• Product Name: Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester
• CAS NO: 139218-48-7
• Molecular Formula: C14H13ClO4S
• Molecular Weight: 312.774
• Mol File: 139218-48-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester(139218-48-7)
• EPA Substance Registry System: Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester(139218-48-7)

Safety Data

• Hazardous Substances Data: 139218-48-7(Hazardous Substances Data)

Upstream product

• 873-63-2 m-chlorobenzyl alcohol 
• 98-68-0 4-methoxy-phenyl-sulphonyl chloride 

Downstream Products

• 873-63-2 m-chlorobenzyl alcohol 
• 1529-41-5 3-chloro-benzeneacetonitrile 

Relevant articles and documents

Using 11C/14C incoming group and secondary α-deuterium KIEs to determine how a change in leaving group alters the structure of the transition state of the S(N)2 reactions between m-chlorobenzyl para- substituted benzenesulfonates and cyanide ion

The 11C/14C incoming group and secondary α-deuterium KIEs and Hammett ρ value found by changing the substituent in the leaving group of the S(N)2 reactions between meta-chlorobenzyl para-substituted benzenesulfonates and cyanide ion in 0.5% aqueous acetonitrile at 0 °C suggest that these reactions occur via an unsymmetrical, product-like transition state. Changing to a better leaving group leads to a transition state with a slightly shorter nucleophile-α-carbon bond and a longer α- carbon-leaving group bond. The changes in transition state structure are consistent with the Bond Strength Hypothesis.