Methyltrifluormethansulfonat

Methyl triflate

HCID 9526CAS 333-27-7

Grundinformationen

Standard-SMILES
COS(=O)(=O)C(F)(F)F
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
Summenformel
C2H3F3O3S
Durchschnittliche Molmasse
164,11 g/mol
Monoisotopische Masse
163,97549962

Überblick

Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.

Namen und Bezeichner

Bevorzugter Name
Methyl triflate
IUPAC
methyl trifluoromethanesulfonate
Lokaler Name
Methyltrifluormethansulfonat
Englischer Name
Methyl trifluoromethanesulfonate
Summenformel
C2H3F3O3S
Molmasse
164.1

Namen und Synonyme

Methyl trifluoromethanesulfonate333-27-7Methyl triflateMethyl trifluoromethanesulphonateMethanesulfonic acid, trifluoro-, methyl esterDTXSID60492727B25Z22EPVNSC-270679DTXCID1029128Trifluoromethanesulfonic acid, methyl esterRefChem:158046206-371-7
Weitere Namen anzeigen
TfOMeMethyl trifluoromethanesulfateMethyl trifluoroMethanesulfonaMethyl trifluoromethanesulfotemethyltrifluoromethanesulfinateMETHYL TRIFLUROMETHANESULFONATE
Trifluoromethanesulfonic Acid Methyl EsterMethyl trifluoromethane sulfonateC2H3F3O3SMeOTfMFCD00000409methyl-13c trifluoromethanesulfonatetrifluoro-methanesulfonic acid methyl esterMethanesulfonic acid, 1,1,1-trifluoro-, methyl ester

Datenbank-Bezeichner

CAS
333-27-7
PubChem CID
9526
DTXSID
DTXSID6049272
ChEMBL
CHEMBL3185488
UNII
7B25Z22EPV
EC Number
206-371-7
Nikkaji
J193.765K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
51,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
Density · 2 Einträge

1.45 at 68 °F (NTP, 1992) - Denser than water; will sink

1.45 @25 °C

SolubilityInsoluble (NTP, 1992)
Flash Point101 °F (NTP, 1992)
Boiling Point201 to 210 °F at 760 mmHg (NTP, 1992)

Physikochemische Eigenschaften

Siedepunkt
94 · 94-99 °C(lit.)
Dichte
1.45 g/mL · 1.45 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.326(lit.)
Flammpunkt
101 °F · 101 °F
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Sparingly), Ethyl Acetate (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Methanesulfonic acid, trifluoro-, methyl ester

Methyl trifluoromethanesulphonate: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid Corrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Trifluoromethanesulfonic acid. See Ethyl methanesulfonate.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3 Einträge

22 [mg/m3]

240 [mg/m3]

1400 [mg/m3]

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
hs_code
29049020
risk_code
10-34-20/21/22

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a reagent for the methylation of sugars; [NTP]
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, methyl ester: ACTIVE

Anwendungen

VerwendenMethyl trifluoromethanesulfonate is used as a powerful methylating reagent in chemistry. Further, it is used in the conversion of amines to methyl ammonium triflates. In addition, it is also used in Suzuki reaction.

Anbieter50 Anbieter

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