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CS-W001157 4
Total: USD 88.00

Fluoromethyl 4-methylbenzenesulfonate

  • CAS No. 114435-86-8

  • Cat. No. CS-W018988
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Fluoromethyl 4-methylbenzenesulfonate|CS-W018988

Structure of 114435-86-8

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General Information

  • CAS No. 114435-86-8
  • Cat. No. CS-W018988
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉FO₃S
  • Molecular Weight 204.22
  • Synonym(s) None
  • SMILES O=S(C1=CC=C(C)C=C1)(OCF)=O

Description

Fluoromethyl 4-methylbenzenesulfonate serves as a reactive sulfonate ester for C–H functionalization, featuring a fluoromethyl group that enables selective alkylation under mild conditions. The para-methyl substituent enhances electron density at the aromatic ring, improving stability and reactivity in cross-coupling processes. This bench-stable reagent facilitates efficient incorporation of fluoromethyl motifs into complex molecular architectures.

Application

Fluoromethyl 4-methylbenzenesulfonate serves as a versatile sulfonate ester for the selective introduction of fluoromethyl groups into organic substrates. It functions reliably in nucleophilic substitution reactions, enabling efficient installation of the fluoromethyl moiety under mild conditions. The reagent exhibits good bench stability and facilitates clean transformations with high functional group tolerance, making it suitable for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H227-H302-H314-H317
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.62732
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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