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2-Bromo-5′-fluoro-2′-hydroxyacetophenone - 97%, high purity , CAS No.126581-65-5

COA

Grade & Purity:

≥97%

Cas Number: 126581-65-5
Molecular Weight: 233.03
MDL number: MFCD03094564
PubChem CID: 2778875
PubChem SID: 488193801

In stock

Item Number

B166810

Grouped product items
SKU	Size	Availability	Price
B166810-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$24.90
B166810-1g	1g	9	$76.90
B166810-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$343.90

Discover 2-Bromo-5′-fluoro-2′-hydroxyacetophenone by Aladdin Scientific in 97% for only $24.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone \| 126581-65-5 \| 2-Bromo-5'-fluoro-2'-hydroxyacetophenone \| 5-Fluoro-2-hydroxyphenacyl bromide \| Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)- \| SCHEMBL3230200 \| DTXSID70381171 \| MFCD03094564 \| AKOS015912042 \| PS-9979 \| CS-019664
Specifications & Purity	≥97%
Storage Temp	Argon charged
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	P-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Benzoyl - 4-halophenol - Aryl alkyl ketone - 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organobromide - Organofluoride - Alkyl bromide - 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	488193801
IUPAC Name	2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone
INCHI	InChI=1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey	QFYYHGPQMZTLRB-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C(=O)CBr)O
Isomeric SMILES	C1=CC(=C(C=C1F)C(=O)CBr)O
WGK Germany	3
Molecular Weight	233.03
Reaxy-Rn	4178070
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4178070&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2303077	Certificate of Analysis	Apr 14, 2023	B166810
I1912033	Certificate of Analysis	Apr 14, 2023	B166810
L2207338	Certificate of Analysis	Dec 23, 2022	B166810

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Molecular Weight	233.030 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.954 Da
Monoisotopic Mass	231.954 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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