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383-64-2

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383-64-2 Structure

383-64-2 Structure

Identification	More
[Name] S-ETHYL TRIFLUOROTHIOACETATE
[CAS] 383-64-2
[Synonyms] ETHYL THIOL TRIFLUOROACETATE S-ETHYL THIOTRIFLUOROACETATE S-ETHYL TRIFLUOROTHIOACETATE TRIFLUOROTHIOACETIC ACID S-ETHYL ESTER Acetic acid, trifluorothio-, S-ethyl ester Ethyl trifluorothioacetate Ethyl trifluorothiolacetate ethyltrifluorothioacetate S-Ethyl trifluoroethanethioate S-Ethylthioltrifluoroacetate Trifluoroethanethioic acid S-ethyl ester trifluoro-ethanethioicacis-ethylester Ethanethioic acid, trifluoro-, S-ethyl ester S-Ethyl trifluorothioacetate 97% S-Ethyltrifluorothioacetate97% S-Ethyl Trifluorothioacetate [Trifluoroacetylating Agent for Peptides Research] Trifluorothioacetic acid S-ethyl
[EINECS(EC#)] 206-852-1
[Molecular Formula] C4H5F3OS
[MDL Number] MFCD00000421
[Molecular Weight] 158.14
[MOL File] 383-64-2.mol

Chemical Properties	Back Directory
[Appearance] clear colorless to slightly yellow liquid
[Boiling point ] 90.5 °C(lit.)
[density ] 1.234 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.376(lit.)
[Fp ] 39 °F
[storage temp. ] Store at RT.
[form ] clear liquid
[color ] Colorless to Light yellow
[BRN ] 1761564
[InChI] 1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
[InChIKey] VGGUKFAVHPGNBF-UHFFFAOYSA-N
[SMILES] CCSC(=O)C(F)(F)F
[CAS DataBase Reference] 383-64-2(CAS DataBase Reference)
[EPA Substance Registry System] Ethanethioic acid, trifluoro-, S-ethyl ester (383-64-2)

Safety Data	Back Directory
[Hazard Codes ] F,Xi
[Risk Statements ] R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[RIDADR ] UN 3272 3/PG 2
[WGK Germany ] 3
[F ] 3-9-13-21
[Hazard Note ] Flammable/Irritant
[TSCA ] TSCA listed
[HazardClass ] 3.1
[PackingGroup ] II
[HS Code ] 2918300090
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Flam. Liq. 2

Hazard Information	Back Directory
[Chemical Properties] clear colorless to slightly yellow liquid
[Uses] S-Ethyl trifluorothioacetate was used to selectively trifluoroacetylate amino groups in proteins.
[Synthesis Reference(s)] Journal of the American Chemical Society, 74, p. 4005, 1952 DOI: 10.1021/ja01136a010
[Purification Methods] If IR is free of OH bands then fractionally distil it; otherwise dilute the thio-ester with dry Et2O, wash with 5% KOH and H2O, dry over MgSO4 and fractionate it through an efficient column [Hauptschein et al. J Am Chem Soc 74 4005 1952]. [Beilstein 2 IV 567.] Powerful obnoxious odour.

Spectrum Detail	Back Directory
[Spectrum Detail] S-ETHYL TRIFLUOROTHIOACETATE(383-64-2)MS S-ETHYL TRIFLUOROTHIOACETATE(383-64-2)¹HNMR S-ETHYL TRIFLUOROTHIOACETATE(383-64-2)¹³CNMR S-ETHYL TRIFLUOROTHIOACETATE(383-64-2)IR1 S-ETHYL TRIFLUOROTHIOACETATE(383-64-2)Raman

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 383-64-2(sigmaaldrich)
[TCI AMERICA] S-Ethyl Trifluorothioacetate [Trifluoroacetylating Agent for Peptides Research],>98.0%(GC)(383-64-2)

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