Methyl 2-(((trifluoromethyl)sulfonyl)oxy)acetate - ≥95% , CAS No.88016-31-3

CAS: 88016-31-3 Cat. No.: M590495 Molecular Weight: 222.14 EC Number: 863-449-9
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Methyl 2-[[(Trifluoromethyl)sulfonyl]oxy]acetate | MFCD23134700 | SY277070 | methyl 2-(trifluoromethanesulfonyloxy)acetate | Methyl trifluoromethylsulfonyloxyacetate | D70818 | Methyl 2-(trifluoromethylsulfonyloxy)acetate | Acetic acid, [[(trifluoromethyl
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
M590495-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$12.90
1g
M590495-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$30.90

$46.90
Save $16.00 (34.12%)
5g
M590495-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$175.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Methyl 2-[[(Trifluoromethyl)sulfonyl]oxy]acetate | MFCD23134700 | SY277070 | methyl 2-(trifluoromethanesulfonyloxy)acetate | Methyl trifluoromethylsulfonyloxyacetate | D70818 | Methyl 2-(trifluoromethylsulfonyloxy)acetate | Acetic acid, [[(trifluoromethyl
Specifications & Purity
≥95%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCOC(=O)COS(=O)(=O)C(F)(F)F
IUPAC Namemethyl 2-(trifluoromethylsulfonyloxy)acetate
InChIKeyPPYPHCLFWPCGAU-UHFFFAOYSA-N
INCHI1S/C4H5F3O5S/c1-11-3(8)2-12-13(9,10)4(5,6)7/h2H2,1H3
Isomeric SMILES COC(=O)COS(=O)(=O)C(F)(F)F
Molecular Weight 222.14
Reaxy-Rn 6203248
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6203248&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassOrganic sulfonic acids and derivatives
SubclassOrganosulfonic acids and derivatives
Intermediate Tree Nodes Alkanesulfonic acids and derivatives - Alkanesulfonic acids
Direct ParentTrifluoromethanesulfonates
Alternative Parents Sulfonic acid esters  Organosulfonic acid esters  Sulfonyls  Methyl esters  Methanesulfonates  Trihalomethanes  Monocarboxylic acids and derivatives  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Trifluoromethanesulfonate - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Methyl ester - Sulfonyl - Carboxylic acid ester - Trihalomethane - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
L2501566Certificate of AnalysisOct 27, 2025 M590495
L2501573Certificate of AnalysisOct 27, 2025 M590495
L2501574Certificate of AnalysisOct 27, 2025 M590495
Chemical and Physical Properties
Molecular Weight222.140 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass221.981 Da
Monoisotopic Mass221.981 Da
Topological Polar Surface Area78.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity273.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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