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5-Fluoro-3-iodopyridin-2-yl trifluoromethanesulfonate - 95%, high purity , CAS No.1261365-53-0

COA

Grade & Purity:

≥95%

Cas Number: 1261365-53-0
Molecular Weight: 371
PubChem CID: 50989440

In stock

Item Number

F180779

Grouped product items
SKU	Size	Availability	Price	Qty
F180779-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,436.90

Basic Description

Synonyms	5-Fluoro-3-iodopyridin-2-yl trifluoromethanesulfonate \| 1261365-53-0 \| (5-fluoro-3-iodopyridin-2-yl) trifluoromethanesulfonate \| 5-Fluoro-3-iodopyridin-2-yltrifluoromethanesulfonate \| DTXSID501147799 \| MFCD18374114 \| AKOS015853006 \| CS-0088300 \| 5-Fluoro-3-iodopyridin-2-
Specifications & Purity	≥95%
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	Polyhalopyridines 2-halopyridines Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Heteroaromatic compounds Trihalomethanes Vinyl iodides Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Fluoroalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethanesulfonate - Polyhalopyridine - 2-halopyridine - Organosulfonic acid ester - Sulfonic acid ester - Pyridine - Heteroaromatic compound - Sulfonyl - Methanesulfonate - Trihalomethane - Azacycle - Iodoalkene - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - Aromatic 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	(5-fluoro-3-iodopyridin-2-yl) trifluoromethanesulfonate
INCHI	InChI=1S/C6H2F4INO3S/c7-3-1-4(11)5(12-2-3)15-16(13,14)6(8,9)10/h1-2H
InChIKey	FGMROSXFLPQCML-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)F
Isomeric SMILES	C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)F
PubChem CID	50989440
Molecular Weight	371

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	371.050 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	370.874 Da
Monoisotopic Mass	370.874 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	341.000
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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