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3'-Fluoro-2'-(trifluoromethyl)acetophenone - 98%, high purity , CAS No.1017777-34-2

COA

Grade & Purity:

≥98%

Cas Number: 1017777-34-2
Molecular Weight: 206.14
PubChem CID: 20111728
PubChem SID: 488199773

In stock

Item Number

F578697

Grouped product items
SKU	Size	Availability	Price
F578697-100mg	100mg	5	$36.90
F578697-250mg	250mg	3	$70.90
F578697-1g	1g	2	$180.90
F578697-5g	5g	1	$630.90

Basic Description

Synonyms	3'-FLUORO-2'-(TRIFLUOROMETHYL)ACETOPHENONE \| 1017777-34-2 \| 1-(3-Fluoro-2-(trifluoromethyl)phenyl)ethanone \| 1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone \| 1-[3-fluoro-2-(trifluoromethyl)phenyl]ethan-1-one \| 1-(3-Fluoro-2-(trifluoromethyl)phenyl)ethan-1-one \| DTXSI
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	488199773
IUPAC Name	1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
INCHI	InChI=1S/C9H6F4O/c1-5(14)6-3-2-4-7(10)8(6)9(11,12)13/h2-4H,1H3
InChIKey	SGXKSDMTSCNKOY-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C(=CC=C1)F)C(F)(F)F
Isomeric SMILES	CC(=O)C1=C(C(=CC=C1)F)C(F)(F)F
PubChem CID	20111728
Molecular Weight	206.14

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2326653	Certificate of Analysis	Mar 09, 2023	F578697
D2326604	Certificate of Analysis	Mar 09, 2023	F578697
D2326595	Certificate of Analysis	Mar 09, 2023	F578697
D2326605	Certificate of Analysis	Mar 09, 2023	F578697
D2326658	Certificate of Analysis	Mar 09, 2023	F578697
D2326600	Certificate of Analysis	Mar 09, 2023	F578697
D2326647	Certificate of Analysis	Mar 09, 2023	F578697
D2326598	Certificate of Analysis	Mar 09, 2023	F578697

Chemical and Physical Properties

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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