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4-Benzyloxyphenylmagnesium bromide solution - 1.0M in THF, high purity , CAS No.120186-59-6(THF)
Basic Description
Synonyms
(4-(benzyloxy)phenyl)magnesium bromide | 4-(benzyloxy)phenyl magnesium bromide | SCHEMBL4954 | [4-(benzyloxy)phenyl]magnesium bromide | MFCD09039130 | 4-benzyloxyphenylmagnesium bromide | 4-Benzyloxyphenylmagnesium bromide, 0.5M in THF | NMSSOXCJYITCNG-UH
Specifications & Purity
1.0M 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.
Note
This material can vary from light to very dark in appearance.These differences in color will have no effect on use.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Alkyl aryl ethers Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organic metal halide - Organic metal bromide salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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;phenylmethoxybenzene;bromide
INCHI
InChI=1S/C13H11O.BrH.Mg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1,3-10H,11H2;1H;/q-1;;+2/p-1
InChIKey
VMPINCGEFWWFMA-UHFFFAOYSA-M
Smiles
C1=CC=C(C=C1)COC2=CC=[C-]C=C2.[Mg+2].[Br-]
Isomeric SMILES
C1=CC=C(C=C1)COC2=CC=[C-]C=C2.[Mg+2].[Br-]
WGK Germany
3
Molecular Weight
287.43
Reaxy-Rn
4435264
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4435264&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Flash Point(°F)
1.4 °F
Flash Point(°C)
-17 °C
Molecular Weight
287.430 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
285.984 Da
Monoisotopic Mass
285.984 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
249.000
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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D2320782