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4'-Fluoro-3'-(trifluoromethyl)acetophenone - 97%, high purity , CAS No.208173-24-4

COA

Grade & Purity:

≥97%

Cas Number: 208173-24-4
Molecular Weight: 206.14
MDL number: MFCD00061252
PubChem CID: 605678
PubChem SID: 504759497

In stock

Item Number

F121998

Grouped product items
SKU	Size	Availability	Price
F121998-1g	1g	2	$36.90
F121998-5g	5g	2	$131.90
F121998-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$235.90
F121998-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$530.90
F121998-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,911.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	A814941 \| AC-3621 \| 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one \| PS-8079 \| SCHEMBL78909 \| AM61383 \| 1-(4-Fluoro-3-(trifluoromethyl)phenyl)ethanone \| 1-(4-fluoro-3-trifluoromethyl-phenyl)-ethanone \| CL8670 \| FT-0618466 \| 1-[4-Fluoro-3-(trifluorometh
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 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 - Organohalogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organofluoride - 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

Pubchem Sid	504759497
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759497
IUPAC Name	1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
INCHI	InChI=1S/C9H6F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
InChIKey	SYFHRXQPXHETEF-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(C=C1)F)C(F)(F)F
Isomeric SMILES	CC(=O)C1=CC(=C(C=C1)F)C(F)(F)F
Molecular Weight	206.14
Reaxy-Rn	9905861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9905861&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G2423064	Certificate of Analysis	Oct 29, 2021	F121998

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.454
Flash Point(°C)	74 °C
Molecular Weight	206.140 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	206.035 Da
Monoisotopic Mass	206.035 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223.000
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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