Methyl trifluoromethanesulfonate - ≥97% , CAS No.333-27-7

CAS: 333-27-7 Cat. No.: M100679 Molecular Weight: 164.1 Beilstein Registry Number: 774772 EC Number: 206-371-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
InChI=1/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H | methyl trifiate | METHYLTRIFLUOROMETHANESULFONATE | J-019144 | J-522641 | BCP22549 | DTXCID1029128 | 7B25Z22EPV | CF3SO2OCH3 | Methyl trifluoromethanesulfonate | methyl trifluoromethane-sulfonate | GC10216 | Meth
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
M100679-5g
2
$13.90
25g
M100679-25g
3
$43.90
100g
M100679-100g
3
$152.90
500g
M100679-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$573.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
InChI=1/C2H3F3O3S/c1-8-9(6, 7)2(3, 4)5/h1H | methyl trifiate | METHYLTRIFLUOROMETHANESULFONATE | J-019144 | J-522641 | BCP22549 | DTXCID1029128 | 7B25Z22EPV | CF3SO2OCH3 | Methyl trifluoromethanesulfonate | methyl trifluoromethane-sulfonate | GC10216 | Meth
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504751839
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751839
Canonical SmilesCOS(=O)(=O)C(F)(F)F
IUPAC Namemethyl trifluoromethanesulfonate
InChIKeyOIRDBPQYVWXNSJ-UHFFFAOYSA-N
INCHI1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
Isomeric SMILES COS(=O)(=O)C(F)(F)F
WGK Germany 3
UN Number 2924
Packing Group I
Molecular Weight 164.1
Beilstein 774772
Reaxy-Rn 774772
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774772&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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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  Methanesulfonates  Trihalomethanes  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - 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.

29 results found

Lot NumberCertificate TypeDateItem
D2621700Certificate of AnalysisMar 25, 2026 M100679
D2621699Certificate of AnalysisMar 25, 2026 M100679
D2621667Certificate of AnalysisMar 25, 2026 M100679
D2621698Certificate of AnalysisMar 25, 2026 M100679
G2531560Certificate of AnalysisJul 23, 2025 M100679
G2531559Certificate of AnalysisJul 23, 2025 M100679
G2531561Certificate of AnalysisJul 23, 2025 M100679
G2531562Certificate of AnalysisJul 23, 2025 M100679
B2624211Certificate of AnalysisJul 23, 2025 M100679
G2419256Certificate of AnalysisApr 02, 2024 M100679
H2409413Certificate of AnalysisApr 02, 2024 M100679
H2409411Certificate of AnalysisApr 02, 2024 M100679
H2409414Certificate of AnalysisApr 02, 2024 M100679
H2304419Certificate of AnalysisFeb 24, 2023 M100679
H2304395Certificate of AnalysisFeb 24, 2023 M100679
K2406133Certificate of AnalysisFeb 24, 2023 M100679
K2429130Certificate of AnalysisJan 31, 2023 M100679
B2318112Certificate of AnalysisJan 31, 2023 M100679
E2528146Certificate of AnalysisJan 31, 2023 M100679
B2318138Certificate of AnalysisJan 31, 2023 M100679
B2318117Certificate of AnalysisJan 31, 2023 M100679
B2318068Certificate of AnalysisJan 31, 2023 M100679
F2224307Certificate of AnalysisJun 16, 2022 M100679
F2224306Certificate of AnalysisJun 16, 2022 M100679
F2224292Certificate of AnalysisJun 16, 2022 M100679
F2224156Certificate of AnalysisJun 16, 2022 M100679
K2216267Certificate of AnalysisJun 16, 2022 M100679
K2216271Certificate of AnalysisJun 16, 2022 M100679
C1809038Certificate of AnalysisJan 20, 2022 M100679

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Chemical and Physical Properties
SensitivityMoisture Sensitive
Refractive Index1.325-1.327
Flash Point(°F)100.4 °F
Flash Point(°C)38℃
Boil Point(°C)94-99°C
Molecular Weight164.110 g/mol
XLogP30.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass163.975 Da
Monoisotopic Mass163.975 Da
Topological Polar Surface Area51.800 Ų
Heavy Atom Count9
Formal Charge0
Complexity172.000
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
Documents & Articles
Citations of This Product
References
1. Gege Wu, Jiping Ma, Shasha Wang, Huining Chai, Liang Guo, Jinhua Li, Abbas Ostovan, Yafeng Guan, Lingxin Chen.  (2020)  Cationic metal-organic framework based mixed-matrix membrane for extraction of phenoxy carboxylic acid (PCA) herbicides from water samples followed by UHPLC-MS/MS determination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:32224376] [10.1016/j.jhazmat.2020.122556]
2. Zhizhuo Liu, Hongqi Liang, Ao Qu, Wei Fan, Baozeng Sun, Shuqi Zhao, Yue Chang, Yuzhe Guo, Ziyi Wang, Yingnuo Liu, Jingmei Xu.  (2026)  Construction of efficient ion transport and robust alkaline resistance by incorporating cationic metal-organic framework into multi-cationic imidazole functionalized poly (phenylene ether).  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2026.103418]
Solution Calculators
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