Skip to the beginning of the images gallery

1-methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate - 97%, high purity , CAS No.180692-27-7

COA

Grade & Purity:

≥97%

Cas Number: 180692-27-7
Molecular Weight: 245.22
PubChem CID: 11379577

In stock

Item Number

M175146

Grouped product items
SKU	Size	Availability	Price	Qty
M175146-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$491.90

Discover 1-methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate by Aladdin Scientific in 97% for only $491.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate \| 180692-27-7 \| MFCD22690664 \| (1-methyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate \| Methanesulfonic acid, 1,1,1-trifluoro-, 1,2,3,6-tetrahydro-1-methyl-4-pyridinyl ester \| SCHEMBL306966
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Hydropyridines Sulfonyls Methanesulfonates Trihalomethanes Trialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Trifluoromethanesulfonate - Hydropyridine - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic 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-methyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
INCHI	InChI=1S/C7H10F3NO3S/c1-11-4-2-6(3-5-11)14-15(12,13)7(8,9)10/h2H,3-5H2,1H3
InChIKey	VLJCJEJRGHGDMQ-UHFFFAOYSA-N
Smiles	CN1CCC(=CC1)OS(=O)(=O)C(F)(F)F
Isomeric SMILES	CN1CCC(=CC1)OS(=O)(=O)C(F)(F)F
Molecular Weight	245.22
Reaxy-Rn	8547923
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8547923&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.220 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	245.033 Da
Monoisotopic Mass	245.033 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	355.000
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