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2-(2，2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride - ≥97%, high purity , CAS No.865352-01-8

COA

Grade & Purity:

≥97%

Cas Number: 865352-01-8
Molecular Weight: 324.65
PubChem CID: 16050308

In stock

Item Number

B770820

Grouped product items
SKU	Size	Availability	Price	Qty
B770820-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
B770820-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzenesulfonyl chlorides Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Ether - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzenesulfonyl chloride
INCHI	InChI=1S/C9H6ClF5O3S/c10-19(16,17)8-5(9(13,14)15)2-1-3-6(8)18-4-7(11)12/h1-3,7H,4H2
InChIKey	DTNQLYAGRKNWMQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)OCC(F)F)S(=O)(=O)Cl)C(F)(F)F
Isomeric SMILES	C1=CC(=C(C(=C1)OCC(F)F)S(=O)(=O)Cl)C(F)(F)F
PubChem CID	16050308
Molecular Weight	324.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	324.650 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	323.965 Da
Monoisotopic Mass	323.965 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	392.000
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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