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4-Iodophenyl trifluoromethanesulfonate - ≥95%, high purity , CAS No.109586-39-2

COA

Grade & Purity:

≥95%

Cas Number: 109586-39-2
Molecular Weight: 352.07
MDL number: MFCD18379773
PubChem CID: 10736693

In stock

Item Number

I768746

Grouped product items
SKU	Size	Availability	Price
I768746-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
I768746-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$125.90
I768746-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$556.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxy compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxy compounds
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxy compounds
Alternative Parents	Trifluoromethanesulfonates Iodobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl iodides Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Trifluoromethanesulfonate - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Alkyl fluoride - Organooxygen compound - Organoiodide - Organofluoride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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	(4-iodophenyl) trifluoromethanesulfonate
INCHI	InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4H
InChIKey	PUSVLEDDCGLWNP-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)I
Isomeric SMILES	C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)I
PubChem CID	10736693
Molecular Weight	352.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	352.070 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	351.888 Da
Monoisotopic Mass	351.888 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	300.000
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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