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2-Bromo-1-(m-tolyl)ethan-1-one - 97%, high purity , CAS No.51012-64-7

COA

Grade & Purity:

≥97%

Cas Number: 51012-64-7
Molecular Weight: 213.07
EC Number: ‘817-508-0
PubChem CID: 10036129

In stock

Item Number

B589310

Grouped product items
SKU	Size	Availability	Price
B589310-100mg	100mg	3	$15.90
B589310-250mg	250mg	3	$24.90
B589310-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
B589310-5g	5g	1	$199.90

View related series

ketone (798)

Basic Description

Synonyms	A828396 \| AKOS009359247 \| 2-bromo-1-(m-tolyl)ethan-1-one \| 2-bromo-1-m-tolylethanone \| 2-Bromo-1-m-tolyl-ethanone \| 2-bromo-3'methylacetophenone \| 2-bromo-3'-methylacetophenone \| 2-bromo-3-methylacetophenone \| MFCD07364269 \| SY022880 \| DTXSID40434522 \| s1
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads 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	Benzoyl derivatives Aryl alkyl ketones Toluenes Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - 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

IUPAC Name	2-bromo-1-(3-methylphenyl)ethanone
INCHI	InChI=1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
InChIKey	BANFRNTVKCHZDE-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)C(=O)CBr
Isomeric SMILES	CC1=CC(=CC=C1)C(=O)CBr
Molecular Weight	213.07
Reaxy-Rn	508869
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508869&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
G2403180	Certificate of Analysis	Jun 24, 2024	B589310
G2403169	Certificate of Analysis	Jun 24, 2024	B589310
G2403176	Certificate of Analysis	Jun 24, 2024	B589310
G2403177	Certificate of Analysis	Jun 24, 2024	B589310
G2403178	Certificate of Analysis	Jun 24, 2024	B589310
G2403179	Certificate of Analysis	Jun 24, 2024	B589310
G2403181	Certificate of Analysis	Jun 24, 2024	B589310
G2403182	Certificate of Analysis	Jun 24, 2024	B589310

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	213.070 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
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	144.000
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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