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1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone - ≥95%, high purity , CAS No.72422-80-1

COA

Grade & Purity:

≥95%

Cas Number: 72422-80-1
Molecular Weight: 229.07
MDL number: MFCD18294026
PubChem CID: 12535109

In stock

Item Number

E769679

Grouped product items
SKU	Size	Availability	Price
E769679-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$402.90
E769679-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
E769679-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,872.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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-bromophenols Ortho cresols Benzoyl derivatives Aryl alkyl ketones Toluenes Bromobenzenes Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - 4-bromophenol - O-cresol - 4-halophenol - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - 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

IUPAC Name	1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone
INCHI	InChI=1S/C9H9BrO2/c1-5-3-7(10)4-8(6(2)11)9(5)12/h3-4,12H,1-2H3
InChIKey	FYCJGBWDWQDUPT-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1O)C(=O)C)Br
Isomeric SMILES	CC1=CC(=CC(=C1O)C(=O)C)Br
PubChem CID	12535109
Molecular Weight	229.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.070 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.979 Da
Monoisotopic Mass	227.979 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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