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2',3'-Dichloroacetophenone - 98%, high purity , CAS No.56041-57-7

COA

Grade & Purity:

≥98%

Cas Number: 56041-57-7
Molecular Weight: 189
PubChem CID: 91986
PubChem SID: 504756096

In stock

Item Number

D185217

Grouped product items
SKU	Size	Availability	Price
D185217-250mg	250mg	3	$54.90
D185217-1g	1g	3	$194.90
D185217-5g	5g	2	$877.90
D185217-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,947.90

Basic Description

Synonyms	PS-6045 \| AC-18308 \| KMABBMYSEVZARZ-UHFFFAOYSA-N \| 2',3'-Dichloroacetophenone \| 2,3-Dichloroacetophenone \| 1-(2,3-Dichlorophenyl)ethan-1-one \| A830897 \| WN2KG56TE3 \| 1-(2,3-dichlorophenyl)-1-ethanone \| BBL103357 \| EINECS 259-954-3 \| Ethanone, 1-(2,3-dichl
Specifications & Purity	≥98%
Storage Temp	Argon charged
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 Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous halide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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

Pubchem Sid	504756096
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756096
IUPAC Name	1-(2,3-dichlorophenyl)ethanone
INCHI	InChI=1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChIKey	KMABBMYSEVZARZ-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C(=CC=C1)Cl)Cl
Isomeric SMILES	CC(=O)C1=C(C(=CC=C1)Cl)Cl
Molecular Weight	189
Reaxy-Rn	2438815
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438815&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G2304525	Certificate of Analysis	Feb 06, 2023	D185217
D2028038	Certificate of Analysis	Feb 06, 2023	D185217
G2304529	Certificate of Analysis	Feb 06, 2023	D185217

Chemical and Physical Properties

Sensitivity	Air sensitive
Boil Point(°C)	106-108°/2mm
Molecular Weight	189.040 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.98 Da
Monoisotopic Mass	187.98 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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