Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate - ≥95% , CAS No.122135-83-5

CAS: 122135-83-5 Cat. No.: E586672 Molecular Weight: 302.27 EC Number: 672-389-0

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid	504758626
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758626
Canonical Smiles	CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
IUPAC Name	ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
InChIKey	VWIUHGUFSGOXDX-UHFFFAOYSA-N
INCHI	1S/C10H13F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h2-6H2,1H3
Isomeric SMILES	CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
NSC Number	NSC Number': ['698179
Molecular Weight	302.27
Reaxy-Rn	4758685
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4758685&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

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives
      - Level5 Alkanesulfonic acids and derivatives
        Level6 Alkanesulfonic acids
        Level7 Trifluoromethanesulfonates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Alkanesulfonic acids and derivatives - Alkanesulfonic acids
Direct Parent	Trifluoromethanesulfonates
Alternative Parents	Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Enoate esters Trihalomethanes Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Trihalomethane - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl fluoride - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Halomethane - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
J2323390	Certificate of Analysis	Oct 08, 2023	E586672
J2323391	Certificate of Analysis	Oct 08, 2023	E586672
J2323392	Certificate of Analysis	Oct 08, 2023	E586672
J2323393	Certificate of Analysis	Oct 08, 2023	E586672
J2323402	Certificate of Analysis	Oct 08, 2023	E586672
J2323403	Certificate of Analysis	Oct 08, 2023	E586672
J2323404	Certificate of Analysis	Oct 08, 2023	E586672

Molecular Weight	302.270 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	302.044 Da
Monoisotopic Mass	302.044 Da
Topological Polar Surface Area	78.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	472.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1