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1-(2-Chloro-3-fluorophenyl)ethanone - 98%, high purity , CAS No.161957-57-9

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1-(2-Chloro-3-fluorophenyl)ethanone - 98%, high purity , CAS No.161957-57-9

Grade & Purity:

≥98%

Cas Number: 161957-57-9
Molecular Weight: 172.58
PubChem CID: 14937356

In stock

Item Number

C191292

Grouped product items
SKU	Size	Availability	Price	Qty
C191292-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C191292-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
C191292-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
C191292-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90

Basic Description

Synonyms	1-(2-Chloro-3-fluorophenyl)ethanone \| 161957-57-9 \| 2'-Chloro-3'-fluoroacetophenone \| Ethanone, 1-(2-chloro-3-fluorophenyl)- \| 1-(2-Chloro-3-fluorophenyl)ethan-1-one \| SCHEMBL8242079 \| DTXSID90565734 \| YLXXXDDQBMAZKT-UHFFFAOYSA-N \| CL8639 \| MFCD13194221 \| AKOS015995486 \| CS-W0
Specifications & Purity	≥98%
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	Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organochloride - 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-chloro-3-fluorophenyl)ethanone
INCHI	InChI=1S/C8H6ClFO/c1-5(11)6-3-2-4-7(10)8(6)9/h2-4H,1H3
InChIKey	YLXXXDDQBMAZKT-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C(=CC=C1)F)Cl
Isomeric SMILES	CC(=O)C1=C(C(=CC=C1)F)Cl
Molecular Weight	172.58
Reaxy-Rn	7127018
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7127018&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	172.580 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
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	160.000
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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