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((Difluoroiodomethyl)sulfonyl)benzene - 98%, high purity , CAS No.802919-90-0

COA

Grade & Purity:

≥98%

Cas Number: 802919-90-0
Molecular Weight: 318.08
PubChem CID: 12158450

In stock

Item Number

D195126

Grouped product items
SKU	Size	Availability	Price	Qty
D195126-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
D195126-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90

Basic Description

Synonyms	802919-90-0 \| ((Difluoroiodomethyl)sulfonyl)benzene \| Benzene, [(difluoroiodomethyl)sulfonyl]- \| (difluoroiodomethylsulfonyl)benzene \| [difluoro(iodo)methyl]sulfonylbenzene \| [(Difluoroiodomethyl)sulfonyl]benzene \| C7H5F2IO2S \| SCHEMBL2853702 \| difluoroiodomethyl phenyl
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Sulfones Trihalomethanes Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl iodides Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Sulfone - Sulfonyl - Trihalomethane - Halomethane - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organoiodide - Organofluoride - Organohalogen compound - Alkyl iodide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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	[difluoro(iodo)methyl]sulfonylbenzene
INCHI	InChI=1S/C7H5F2IO2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKey	LIPDDCLPIKKOTB-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)C(F)(F)I
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)C(F)(F)I
Molecular Weight	318.08
Reaxy-Rn	9902195
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9902195&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	318.080 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	317.902 Da
Monoisotopic Mass	317.902 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	265.000
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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