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

CAS: 51012-64-7 Cat. No.: B589310 Molecular Weight: 213.07 EC Number: 817-508-0
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
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
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B589310-100mg
3

$19.90

$29.90
Save $10.00 (33.44%)
250mg
B589310-250mg
3

$43.90

$65.90
Save $22.00 (33.38%)
1g
B589310-1g
1

$47.90

$71.90
Save $24.00 (33.38%)
5g
B589310-5g
1

$168.90

$253.90
Save $85.00 (33.48%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
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.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=CC(=CC=C1)C(=O)CBr
IUPAC Name2-bromo-1-(3-methylphenyl)ethanone
InChIKeyBANFRNTVKCHZDE-UHFFFAOYSA-N
INCHI1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Benzoyl derivatives  Aryl alkyl ketones  Toluenes  Alpha-haloketones  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
G2403169Certificate of AnalysisJun 24, 2024 B589310
G2403176Certificate of AnalysisJun 24, 2024 B589310
G2403177Certificate of AnalysisJun 24, 2024 B589310
G2403178Certificate of AnalysisJun 24, 2024 B589310
G2403179Certificate of AnalysisJun 24, 2024 B589310
G2403180Certificate of AnalysisJun 24, 2024 B589310
G2403181Certificate of AnalysisJun 24, 2024 B589310
G2403182Certificate of AnalysisJun 24, 2024 B589310
Chemical and Physical Properties
SensitivityMoisture sensitive
Molecular Weight213.070 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass211.984 Da
Monoisotopic Mass211.984 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity144.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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