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1-(4-Methoxy-2-(trifluoromethyl)phenyl)ethanone - 97%, high purity , CAS No.220141-75-3

COA

Grade & Purity:

≥97%

Cas Number: 220141-75-3
Molecular Weight: 218.17
PubChem CID: 2775288

In stock

Item Number

M192103

Grouped product items
SKU	Size	Availability	Price	Qty
M192103-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
M192103-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90

Basic Description

Synonyms	1-(4-Methoxy-2-(trifluoromethyl)phenyl)ethanone \| 220141-75-3 \| 4'-Methoxy-2'-(trifluoromethyl)acetophenone \| 1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanone \| 4'-METHOXY-2'-TRIFLUOROMETHYLACETOPHENONE \| 1-[4-methoxy-2-(trifluoromethyl)phenyl]ethan-1-one \| SCHEMBL339
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Anisole - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - 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-[4-methoxy-2-(trifluoromethyl)phenyl]ethanone
INCHI	InChI=1S/C10H9F3O2/c1-6(14)8-4-3-7(15-2)5-9(8)10(11,12)13/h3-5H,1-2H3
InChIKey	RSUCOEPTFURXML-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=C(C=C1)OC)C(F)(F)F
Isomeric SMILES	CC(=O)C1=C(C=C(C=C1)OC)C(F)(F)F
Molecular Weight	218.17
Reaxy-Rn	40083896
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40083896&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	218.170 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	218.055 Da
Monoisotopic Mass	218.055 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237.000
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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