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1-(5-Bromo-2-methylphenyl)ethanone - 97%, high purity , CAS No.90326-54-8

COA

Grade & Purity:

≥97%

Cas Number: 90326-54-8
Molecular Weight: 213.07
PubChem CID: 19780744
PubChem SID: 504768856

In stock

Item Number

B195728

Grouped product items
SKU	Size	Availability	Price
B195728-50mg	50mg	2	$24.90
B195728-250mg	250mg	4	$104.90
B195728-1g	1g	2	$319.90
B195728-5g	5g	2	$448.90
B195728-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$807.90
B195728-25g	25g	1	$1,569.90

Basic Description

Synonyms	1-(5-bromo-2-methylphenyl)ethanone \| 90326-54-8 \| 1-(5-bromo-2-methylphenyl)ethan-1-one \| MFCD22493313 \| 5-bromo-2-methylphenyl-ethanone \| SCHEMBL9353897 \| 5'-bromo-2'-methylacetophenone \| ZNMVYUFRYQVCRD-UHFFFAOYSA-N \| AKOS018710685 \| DS-8780 \| SY117431 \| CS-0042136 \| FT-0753109
Specifications & Purity	≥97%
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 Benzoyl derivatives Aryl alkyl ketones Toluenes Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - 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

Pubchem Sid	504768856
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768856
IUPAC Name	1-(5-bromo-2-methylphenyl)ethanone
INCHI	InChI=1S/C9H9BrO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
InChIKey	ZNMVYUFRYQVCRD-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)Br)C(=O)C
Isomeric SMILES	CC1=C(C=C(C=C1)Br)C(=O)C
Molecular Weight	213.07
Reaxy-Rn	2613355
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613355&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.

8 results found

Lot Number	Certificate Type	Date	Item
K2216160	Certificate of Analysis	Aug 22, 2022	B195728
K2216177	Certificate of Analysis	Aug 22, 2022	B195728
K2216112	Certificate of Analysis	Aug 22, 2022	B195728
K2216110	Certificate of Analysis	Aug 22, 2022	B195728
K2216158	Certificate of Analysis	Aug 22, 2022	B195728
K2216170	Certificate of Analysis	Aug 22, 2022	B195728
K2216159	Certificate of Analysis	Aug 22, 2022	B195728
C2505318	Certificate of Analysis	Aug 22, 2022	B195728

Chemical and Physical Properties

Molecular Weight	213.070 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.984 Da
Monoisotopic Mass	211.984 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156.000
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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