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CS-W001157 4
Total: USD 88.00

Ethyl (2,2,2-trifluoroethyl) carbonate

  • CAS No. 156783-96-9

  • Cat. No. CS-0196827
  • Purity≥98%
  • MDL No.None

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

Ethyl (2,2,2-trifluoroethyl) carbonate|CS-0196827

Structure of 156783-96-9

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General Information

  • CAS No. 156783-96-9
  • Cat. No. CS-0196827
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇F₃O₃
  • Molecular Weight 172.10
  • Synonym(s) Ethyl 2,2,2-trifluoroethyl carbonate
  • SMILES O=C(OCC)OCC(F)(F)F

Description

Ethyl (2,2,2-trifluoroethyl) carbonate features a trifluoromethylated ethyl ester moiety that enhances solubility in polar aprotic solvents and improves stability under oxidative conditions. This fluorinated carbonate serves as a robust electrophilic handle for C–O bond formation in synthetic workflows, particularly in the derivatization of nucleophiles.

Application

Ethyl (2,2,2-trifluoroethyl) carbonate serves as a stable, bench-friendly fluorinated building block for C–F bond incorporation. It functions as a selective trifluoromethylating agent in nucleophilic substitution reactions and enables efficient introduction of trifluoromethyl groups under mild conditions. Its compatibility with diverse functional groups and ease of purification make it a practical reagent for synthetic routes involving fluorinated intermediates, particularly in medicinal chemistry and agrochemical development.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P304+P340-P362-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.7218
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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