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1-(4-Chloro-2,6-dimethylphenyl)ethanone - 95%, high purity , CAS No.35887-71-9

COA

Grade & Purity:

≥95%

Cas Number: 35887-71-9
Molecular Weight: 182.64
EC Number: ‘817-437-5
PubChem CID: 53402864
PubChem SID: 504771214

In stock

Item Number

C588865

Grouped product items
SKU	Size	Availability	Price
C588865-100mg	100mg	2	$21.90
C588865-250mg	250mg	1	$46.90
C588865-1g	1g	1	$140.90

Basic Description

Synonyms	BS-47988 \| E84333 \| 1-(4-chloro-2,6-dimethylphenyl)ethan-1-one \| EN300-1587716 \| YTPYRGOFBLEEBD-UHFFFAOYSA-N \| SCHEMBL2381170 \| Ethanone, 1-(4-chloro-2,6-dimethylphenyl)- \| 1-(4-CHLORO-2,6-DIMETHYLPHENYL)ETHANONE
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
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 m-Xylenes Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - M-xylene - Xylene - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organic oxide - Organohalogen compound - Organochloride - 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

Names and Identifiers

Pubchem Sid	504771214
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771214
IUPAC Name	1-(4-chloro-2,6-dimethylphenyl)ethanone
INCHI	InChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3
InChIKey	YTPYRGOFBLEEBD-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1C(=O)C)C)Cl
Isomeric SMILES	CC1=CC(=CC(=C1C(=O)C)C)Cl
Molecular Weight	182.64
Reaxy-Rn	2251464
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251464&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2303479	Certificate of Analysis	Sep 27, 2023	C588865
K2303514	Certificate of Analysis	Sep 27, 2023	C588865
K2303480	Certificate of Analysis	Sep 27, 2023	C588865
K2303477	Certificate of Analysis	Sep 27, 2023	C588865
K2303478	Certificate of Analysis	Sep 27, 2023	C588865
K2303476	Certificate of Analysis	Sep 27, 2023	C588865

Chemical and Physical Properties

Molecular Weight	182.640 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	182.05 Da
Monoisotopic Mass	182.05 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167.000
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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