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5'-Chloro-2'-hydroxy-4'-methylacetophenone - 95%, high purity , CAS No.28480-70-8

COA

Grade & Purity:

≥95%

Cas Number: 28480-70-8
Molecular Weight: 184.62
Beilstein Registry Number: 8(2)113
MDL number: MFCD00191920
PubChem CID: 598229
PubChem SID: 488190600

In stock

Item Number

C154070

Grouped product items
SKU	Size	Availability	Price
C154070-1g	1g	3	$9.90
C154070-5g	5g	5	$17.90
C154070-25g	25g	3	$50.90
C154070-100g	100g	1	$181.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	EN300-7408519 \| Union carbide flexol 380 \| A819471 \| Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)- \| InChI=1/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H \| J-017106 \| STK819453 \| 5'-Chloro-2'-hydroxy-4'-methylacetophenone \| 5-Chloro-2-hydroxy-4-
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Explanation： 5′-chloro-2′-hydroxy-4′-methylacetophenone (5-Chloro-2-hydroxy-4-methylacetophenone) is a hydroxylated aromatic acetophenone. Its iodination by pyridinium iodochloride has been reported to afford 5-chloro-2-hydroxy-3-iodo-4-methylacetophenone. Application： 5′-Chloro-2′-hydroxy-4′-methylacetophenone (5-chloro-2-hydroxy-4-methylacetophenone) may be used in the preparation of the following: 1、chalcones, required for the synthesis of novel pyrazoline derivatives。 2、5′-chloro-2′-hydroxy-4′-methyl-3-(2´´-thienyl)acrylophenone 3、6-chloro-3-hydroxy-7-methyl-2-(2-thienyl)-4H-chromen-4-one, a complexing agent used for the spectrophotometric determination of vanadium(V)

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 P-chlorophenols Meta cresols Benzoyl derivatives Aryl alkyl ketones Toluenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - M-cresol - 4-chlorophenol - Aryl alkyl ketone - Toluene - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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	488190600
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190600
IUPAC Name	1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
INCHI	InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
InChIKey	HDUSGGZSLVCDKY-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1Cl)C(=O)C)O
Isomeric SMILES	CC1=CC(=C(C=C1Cl)C(=O)C)O
WGK Germany	3
Molecular Weight	184.62
Beilstein	8(2)113
Reaxy-Rn	1943380
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943380&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.

4 results found

Lot Number	Certificate Type	Date	Item
B23071061	Certificate of Analysis	Oct 31, 2022	C154070
B23071052	Certificate of Analysis	Oct 31, 2022	C154070
B23071200	Certificate of Analysis	Oct 31, 2022	C154070
B23071067	Certificate of Analysis	Oct 31, 2022	C154070

Chemical and Physical Properties

Boil Point(°C)	137°C/15mmHg(lit.)
Melt Point(°C)	69 °C
Molecular Weight	184.620 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	184.029 Da
Monoisotopic Mass	184.029 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181.000
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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