Skip to the beginning of the images gallery

1，4-Dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate - ≥95%, high purity , CAS No.170011-47-9

COA

Grade & Purity:

≥95%

Cas Number: 170011-47-9
Molecular Weight: 288.24
PubChem CID: 11483086

In stock

Item Number

D726041

Grouped product items
SKU	Size	Availability	Price	Qty
D726041-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,052.90
D726041-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,665.90

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	Ketals Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates 1,3-dioxolanes Trihalomethanes Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Trifluoromethanesulfonate - Ketal - Sulfonic acid ester - Organosulfonic acid ester - Meta-dioxolane - Methanesulfonate - Sulfonyl - Trihalomethane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Aliphatic heteropolycyclic 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

Names and Identifiers

IUPAC Name	1,4-dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate
INCHI	InChI=1S/C9H11F3O5S/c10-9(11,12)18(13,14)17-7-1-3-8(4-2-7)15-5-6-16-8/h1H,2-6H2
InChIKey	NOLMGELTBIIGOL-UHFFFAOYSA-N
Smiles	C1CC2(CC=C1OS(=O)(=O)C(F)(F)F)OCCO2
Isomeric SMILES	C1CC2(CC=C1OS(=O)(=O)C(F)(F)F)OCCO2
PubChem CID	11483086
Molecular Weight	288.24

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	288.240 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	288.028 Da
Monoisotopic Mass	288.028 Da
Topological Polar Surface Area	70.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	442.000
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

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration