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

COA COA
    Grade & Purity:
  • ≥95%
In stock
Item Number
E586672
Grouped product items
SKU Size
Availability
 Price Qty
E586672-250mg
250mg
3
$25.90
E586672-1g
1g
2
$83.90
E586672-5g
5g
1
$374.90
E586672-25g
25g
1
$1,679.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms FT-0642977 | AKOS015911220 | ethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate | 2-(ethoxycarbonyl)-1-cyclohexenyl triflate | DTXSID30327873 | 2-trifluoromethanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester;ETHYL 2-(TRIFLUOROMETHYL SUL
Specifications & Purity ≥95%
Storage Temp 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.

Taxonomic Classification

Taxonomy Tree

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

Associated Targets(Human)

A498 (42825 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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SNB-75 (44215 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504758626
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758626
IUPAC Name ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
INCHI 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
InChIKey VWIUHGUFSGOXDX-UHFFFAOYSA-N
Smiles CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
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=

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.

7 results found

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

Chemical and Physical Properties

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 Ų
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

Solution Calculators

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