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2-Mesitylmagnesium bromide solution - 1.0M in diethyl ether, high purity , CAS No.2633-66-1
Basic Description
Synonyms
2,4,6-Trimethylphenylmagnesium bromide 0.5 M in Tetrahydrofuran | 2,4,6-TRIMETHYLPHENYLMAGNESIUMBROMIDE | 2-Mesitymagnesium bromide | 2,4,6-Trimethylphenylmagnesium bromide, 0.5 M in THF | Magnesium, bromo(2,4,6-trimethylphenyl)- | 2,4,6-Trimethylphenylma
Specifications & Purity
1.0M in diethyl ether
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
magnesium;1,3,5-trimethylbenzene-6-ide;bromide
INCHI
InChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1
InChIKey
JOWQNXIISCPKBK-UHFFFAOYSA-M
Smiles
CC1=CC(=[C-]C(=C1)C)C.[Mg+2].[Br-]
Isomeric SMILES
CC1=CC(=[C-]C(=C1)C)C.[Mg+2].[Br-]
UN Number
3399A
Molecular Weight
223.39
Reaxy-Rn
972221
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972221&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
-18.4 °F - closed cup
Flash Point(°C)
-28 °C - closed cup
Molecular Weight
223.390 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
221.989 Da
Monoisotopic Mass
221.989 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
190.000
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
3
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D2508529