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Methyl trifluoromethanesulfate

methyl trifluoromethanesulphonate

CAS: 333-27-7

Molecular Formula: C2H3F3O3S

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Methyl trifluoromethanesulfate - Names and Identifiers

Name methyl trifluoromethanesulphonate
Synonyms METHYL TRIFLATE
Methyl trifluoroMethanesulfona
Methyl trifluoromethanesulfote
Methyl trifluoromethanesulfate
methyltrifluoromethanesulfinate
METHYL TRIFLUOROMETHANESULFONATE
methyl trifluoromethanesulphonate
2-Chloro-4,5-Difluoro-Benzothiazole
trifluoro-methanesulfonicacimethylester
METHYL TRIFLUOROMETHANESULFONATE FOR SYN
trifluoromethane-sulfinicacid,methylester
TRIFLUOROMETHANESULFONIC ACID METHYL ESTER
Methanesulfonicacid,trifluoro-,methylester
Threefluoro Methanesulfonic acidMethyl ester
Methanesulfonic acid,1,1,1-trifluoro-, Methyl ester
CAS 333-27-7
EINECS 206-371-7
InChI InChI=1/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
InChIKey OIRDBPQYVWXNSJ-UHFFFAOYSA-N

Methyl trifluoromethanesulfate - Physico-chemical Properties

Molecular FormulaC2H3F3O3S
Molar Mass164.1
Density1.45g/mLat 25°C(lit.)
Boling Point94-99°C(lit.)
Flash Point101°F
Vapor Presure49.662mmHg at 25°C
AppearanceLiquid
Specific Gravity1.450
ColorClear colorless to yellow
BRN774772
Storage Condition2-8°C
SensitiveAir Sensitive
Refractive Indexn20/D 1.326(lit.)
Physical and Chemical PropertiesBoiling point 94-99°C(lit.)
density 1.45g/mL at 25°C(lit.)
refractive index n20/D 1.326(lit.)
flash point 101 °F
storage conditions 0-6°C

Methyl trifluoromethanesulfate - Risk and Safety

Risk CodesR10 - Flammable
R34 - Causes burns
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16 - Keep away from sources of ignition.
UN IDsUN 2920 8/PG 2
WGK Germany3
FLUKA BRAND F CODES10
TSCAT
HS Code29049020
Hazard NoteHighly Toxic/Corrosive
Hazard Class3.2
Packing GroupIII

Methyl trifluoromethanesulfate - Reference Information

EPA chemical information Information provided by: ofmpub.epa.gov (external link)
Overview Methyl trifluoromethanesulfonate is a very useful class of trifluoromethanesulfonate reagents in organic synthesis, commonly used as alkylation reagents. The strong electron-withdrawing ability and reactivity of trifluoromethanesulfonyl groups of trifluoromethanesulfonate compounds are much higher than those of conventional alkylating reagents, such as chlorides or alkyl sulfonates. Because these compounds are very active, only methyl trifluoromethanesulfonate is relatively stable. Other trifluoromethanesulfonate is prone to side reactions such as elimination and rearrangement, which need to be combined and post-treated under mild conditions.
preparation synthesis of methyl trifluoromethanesulfonate: under ice bath, trimethyl orthoformate (3.18g,30mmol) is slowly added to trifluoromethanesulfonate anhydride (8.47g,30mmol), transferred to 25 ℃ for reaction, nuclear magnetic resonance monitoring for 15 minutes, after reaction, 9.74g of colorless liquid of methyl trifluoromethanesulfonate is obtained by distillation under reduced pressure, with a yield of 99%.
Preparation method of methyl trifluoromethanesulfonate Trifluoromethanesulfonic acid and potassium carbonate first form a salt, and react with dimethyl sulfate in DMF or DMSO, Then add water to wash and distill, or trifluoromethanesulfonic acid and methanol directly esterify.
uses intermediates in organic synthesis and pharmaceutical synthesis, monomethylation reagents.
Last Update:2024-04-10 22:29:15
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