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2-Chloro-4′-fluoroacetophenone - >98.0%(GC), high purity , CAS No.456-04-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 456-04-2
Molecular Weight: 172.58
Beilstein Registry Number: 637860
EC Number: 207-256-4
MDL number: MFCD00011652
PubChem CID: 120248
PubChem SID: 488187639

In stock

Item Number

C138866

Grouped product items
SKU	Size	Availability	Price
C138866-5g	5g	3	$15.90
C138866-25g	25g	3	$68.90
C138866-100g	100g	3	$246.90
C138866-500g	500g	1	$1,108.90

View related series

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

Basic Description

Synonyms	(Z)-3''-hydroxy-3,4,4'',5-tetramethoxystilbene \| Z104478978 \| .alpha.-Chloro-para-fluoroacetophenone \| 2-Chloro-1-(4-fluorophenyl)ethanone \| 2-Chloro-1-(4-fluoro-phenyl)-ethanone \| 2-chloro-1-(4-fluorophenyl)-ethanone \| BRN 0637860 \| Lead, granules \| .Alp
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	2-Chloro-4′-fluoroacetophenone on condensation with N-methyl-4-(methylthio)benzamidine yields 1-methyl-2-(4-methylthio)phenyl-4-(4-fluoro)phenylimidazole It was used in the synthesis of S-(phenacyl)glutathiones and 2-[3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-(4-fluorophenyl)ethanone.

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	Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-chloroketones Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-chloroketone - Alpha-haloketone - Organohalogen compound - Organic oxide - Alkyl halide - Organochloride - Organofluoride - Alkyl chloride - 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488187639
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187639
IUPAC Name	2-chloro-1-(4-fluorophenyl)ethanone
INCHI	InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey	UJZWJOQRSMOFMA-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)CCl)F
Isomeric SMILES	C1=CC(=CC=C1C(=O)CCl)F
WGK Germany	3
RTECS	AM6550000
Molecular Weight	172.58
Beilstein	637860
Reaxy-Rn	637860
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637860&ln=

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
F23081082	Certificate of Analysis	Mar 05, 2025	C138866
C2317431	Certificate of Analysis	Jan 10, 2025	C138866
F2208134	Certificate of Analysis	Mar 14, 2024	C138866
F2208022	Certificate of Analysis	Mar 14, 2024	C138866
K2111080	Certificate of Analysis	Aug 16, 2023	C138866
K2111081	Certificate of Analysis	Aug 16, 2023	C138866
K2111079	Certificate of Analysis	Aug 16, 2023	C138866
C1720088	Certificate of Analysis	Sep 20, 2022	C138866

Chemical and Physical Properties

Solubility	Insoluble in water.
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	247 °C
Melt Point(°C)	50 °C
Molecular Weight	172.580 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	172.009 Da
Monoisotopic Mass	172.009 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141.000
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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