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3-Fluoro-4-methylphenylmagnesium bromide solution - 0.5 M in THF, high purity , CAS No.185077-02-5
Basic Description
Synonyms
3-Fluoro-4-methylphenylmagnesium bromide | AKOS015909253 | (3-fluoro-4-methylphenyl)magnesiumbromide | 3-Fluoro-4-methylphenylmagnesium bromide, 0.5 M in THF | Magnesium,bromo(3-fluoro-4-methylphenyl)- | 3-FLUORO-2-METHYLPHENYLMAGNESIUM BROMID | FGTAIRVIE
Specifications & Purity
0.5 M in THF
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Aryl fluorides Organic metal halides Organic metal bromide salts Organofluorides Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fluorobenzene - Aryl halide - Aryl fluoride - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-fluoro-2-methylbenzene-5-ide;bromide
INCHI
InChI=1S/C7H6F.BrH.Mg/c1-6-4-2-3-5-7(6)8;;/h2,4-5H,1H3;1H;/q-1;;+2/p-1
InChIKey
QLGSDGDHUROFKU-UHFFFAOYSA-M
Smiles
CC1=C(C=[C-]C=C1)F.[Mg+2].[Br-]
Isomeric SMILES
CC1=C(C=[C-]C=C1)F.[Mg+2].[Br-]
WGK Germany
3
UN Number
2924
Packing Group
II
Molecular Weight
213.33
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Reacts with water.
Sensitivity
Air & Moisture Sensitive
Flash Point(°F)
1.4 °F
Flash Point(°C)
-17 °C
Boil Point(°C)
65 °C
Molecular Weight
213.330 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
211.949 Da
Monoisotopic Mass
211.949 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
182.000
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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D2515449