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2′,6′-Dichloroacetophenone - >98.0%(GC), high purity , CAS No.2040-05-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 2040-05-3
Molecular Weight: 189.04
EC Number: 218-035-7
MDL number: MFCD00016339
PubChem CID: 74877
PubChem SID: 488184994

In stock

Item Number

D123254

Grouped product items
SKU	Size	Availability	Price
D123254-1g	1g	5	$19.90
D123254-5g	5g	9	$47.90
D123254-25g	25g	1	$213.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Amino-3-prenylthiopropionic acid \| STL557121 \| A19704 \| EN300-57029 \| FT-0600964 \| MFCD00016339 \| 1-(2,6-Dichlorophenyl)ethan-1-one \| EINECS 218-035-7 \| AC-3638 \| 2 inverted exclamation marka,6 inverted exclamation marka-Dichloroacetophenone \| 2-methoxy
Specifications & Purity	≥98%(GC)
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 - 1,3-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	488184994
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184994
IUPAC Name	1-(2,6-dichlorophenyl)ethanone
INCHI	InChI=1S/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey	HYBDSXBLGCQKRE-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=CC=C1Cl)Cl
Isomeric SMILES	CC(=O)C1=C(C=CC=C1Cl)Cl
WGK Germany	3
Molecular Weight	189.04
Reaxy-Rn	2440104
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2440104&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
D1625043	Certificate of Analysis	Dec 15, 2023	D123254
B2308797	Certificate of Analysis	Oct 15, 2022	D123254
B2308814	Certificate of Analysis	Oct 15, 2022	D123254
B2308831	Certificate of Analysis	Oct 15, 2022	D123254
D2303427	Certificate of Analysis	Oct 15, 2022	D123254

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	176-180°C/83mm
Melt Point(°C)	41-44°C
Molecular Weight	189.040 g/mol
XLogP3	2.900
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	148.000
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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