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3'-Methoxyphenacyl Bromide [for HPLC Labeling] - >99.0%(T), high purity , CAS No.5000-65-7
Basic Description
Synonyms
M0815 | AM20060641 | FT-0611417 | 3-Methoxyphenacyl bromide | CQB4BZ4WTK | 2-Bromo-1-(3-methoxyphenyl)ethanone | 2-bromo-1-(3-methoxy-phenyl)ethanone | 2-bromo-1-(3-methoxy-phenyl)-ethanone | 2-Bromo-1-(3-methoxyphenyl)-ethanone | alpha-Bromo-m-methoxyace
Specifications & Purity
≥99%(T)
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
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
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ether - Organic oxide - Organohalogen compound - Organobromide - Hydrocarbon derivative - 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
Data sources
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.
Names and Identifiers
IUPAC Name
2-bromo-1-(3-methoxyphenyl)ethanone
INCHI
InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey
IOOHBIFQNQQUFI-UHFFFAOYSA-N
Smiles
COC1=CC=CC(=C1)C(=O)CBr
Isomeric SMILES
COC1=CC=CC(=C1)C(=O)CBr
WGK Germany
3
UN Number
3261
Packing Group
II
Molecular Weight
229.07
Beilstein
8(4)337
Reaxy-Rn
510128
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510128&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive,Hygroscopic,Heat Sensitive
Melt Point(°C)
60-62°C
Molecular Weight
229.070 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
227.979 Da
Monoisotopic Mass
227.979 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
159.000
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
Citations of This Product
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1 Citations