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3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate - 97%, high purity , CAS No.188975-30-6

COA

Grade & Purity:

≥97%

Cas Number: 188975-30-6
Molecular Weight: 232.17
PubChem CID: 11356703

In stock

Item Number

D175329

Grouped product items
SKU	Size	Availability	Price
D175329-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
D175329-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
D175329-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
D175329-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$353.90
D175329-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$636.90

Basic Description

Synonyms	3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate \| 188975-30-6 \| 3,6-Dihydro-2H-pyran-4-yl trifluoro-methanesulfonate \| MFCD09997709 \| METHANESULFONIC ACID, 1,1,1-TRIFLUORO-, 3,6-DIHYDRO-2H-PYRAN-4-YL ESTER \| 3,6-dihydro-2H-pyran-4-yltrifluoromethanesulfonate \| tr
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 Pyrans Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Trifluoromethanesulfonate - Pyran - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - 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	3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate
INCHI	InChI=1S/C6H7F3O4S/c7-6(8,9)14(10,11)13-5-1-3-12-4-2-5/h1H,2-4H2
InChIKey	QXCAHEXKUMUTRF-UHFFFAOYSA-N
Smiles	C1COCC=C1OS(=O)(=O)C(F)(F)F
Isomeric SMILES	C1COCC=C1OS(=O)(=O)C(F)(F)F
Molecular Weight	232.17
Reaxy-Rn	8546423
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8546423&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	232.180 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	232.002 Da
Monoisotopic Mass	232.002 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	324.000
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

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