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2',4'-Difluoro-3'-(trifluoromethyl)acetophenone - 97%, high purity , CAS No.1202679-46-6

COA

Grade & Purity:

≥97%

Cas Number: 1202679-46-6
Molecular Weight: 224.13
MDL number: MFCD12547946
PubChem CID: 45933768

In stock

Item Number

D131953

Grouped product items
SKU	Size	Availability	Price	Qty
D131953-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
D131953-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90

Basic Description

Synonyms	1202679-46-6 \| 1-(2,4-difluoro-3-(trifluoromethyl)phenyl)ethanone \| 1-[2,4-Difluoro-3-(trifluoromethyl)phenyl]ethanone \| 2',4'-Difluoro-3'-(trifluoromethyl)acetophenone \| 2',4'-Difluoro-3'-(trifluoromethyl) acetophenone \| 1-[2,4-Difluoro-3-(trifluoromethyl)phenyl]e
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Trifluoromethylbenzenes Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Vinylogous halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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	1-[2,4-difluoro-3-(trifluoromethyl)phenyl]ethanone
INCHI	InChI=1S/C9H5F5O/c1-4(15)5-2-3-6(10)7(8(5)11)9(12,13)14/h2-3H,1H3
InChIKey	SDZJUILLCDFDFP-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C(=C(C=C1)F)C(F)(F)F)F
Isomeric SMILES	CC(=O)C1=C(C(=C(C=C1)F)C(F)(F)F)F
Molecular Weight	224.13
Reaxy-Rn	24695583
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24695583&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	224.130 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	224.026 Da
Monoisotopic Mass	224.026 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249.000
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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