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3',4'-Dichloroacetophenone - 98%, high purity , CAS No.2642-63-9

COA

Grade & Purity:

≥98%

Cas Number: 2642-63-9
Molecular Weight: 189.04
Beilstein Registry Number: 7(2)219
EC Number: 220-146-0
MDL number: MFCD00000553
PubChem CID: 75841
PubChem SID: 488185173

In stock

Item Number

D106502

Grouped product items
SKU	Size	Availability	Price
D106502-5g	5g	9	$11.90
D106502-25g	25g	8	$44.90
D106502-100g	100g	10	$112.90
D106502-500g	500g	2	$504.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS000112424 \| STR00859 \| PS-3397 \| STK397842 \| W-107172 \| 2TN7FF3W4M \| 3,4-Dicloroacetophenone \| AM20040052 \| NSC 403673 \| Patent blau V \| 3',4'-dichloro acetophenone \| 3.4-dichloroacetophenone \| 4-hydroxybutanal;3',4'-Dichloroacetophenone \| EINECS 220-
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3′,4′-Dichloroacetophenone (3,4-Dichloroacetophenone) was used in the synthesis of substituted aryl aminothiazoles.

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 Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxide - Hydrocarbon derivative - 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

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	488185173
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185173
IUPAC Name	1-(3,4-dichlorophenyl)ethanone
INCHI	InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey	WBPAOUHWPONFEQ-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(C=C1)Cl)Cl
Isomeric SMILES	CC(=O)C1=CC(=C(C=C1)Cl)Cl
WGK Germany	3
Molecular Weight	189.04
Beilstein	7(2)219
Reaxy-Rn	742534
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742534&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.

10 results found

Lot Number	Certificate Type	Date	Item
B2511191	Certificate of Analysis	Jun 18, 2024	D106502
B2511195	Certificate of Analysis	Jun 18, 2024	D106502
C23311607	Certificate of Analysis	Jun 28, 2022	D106502
C23311604	Certificate of Analysis	Jun 28, 2022	D106502
G2228345	Certificate of Analysis	Jun 28, 2022	D106502
G2228340	Certificate of Analysis	Jun 28, 2022	D106502
G2228693	Certificate of Analysis	Jun 28, 2022	D106502
C23311605	Certificate of Analysis	Feb 21, 2022	D106502
D1809147	Certificate of Analysis	Feb 21, 2022	D106502
D1809146	Certificate of Analysis	Feb 21, 2022	D106502

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	135°C
Melt Point(°C)	72°C
Molecular Weight	189.040 g/mol
XLogP3	3.100
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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