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2-Methyl-2-phenylpropylmagnesium chloride solution - 0.5 M in THF, high purity , CAS No.35293-35-7
Basic Description
Synonyms
35293-35-7 | Neophylmagnesium chloride | Magnesium, chloro(2-methyl-2-phenylpropyl)- | 2-methyl-2-phenylpropylmagnesium chloride | magnesium;2-methanidylpropan-2-ylbenzene;chloride | 2-Methyl-2-phenylpropylmagnesium chloride, 0.50 M in THF | 2-Methyl-2-phenylpropylma
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
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Organic metal halides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Organic metal halide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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;2-methanidylpropan-2-ylbenzene;chloride
INCHI
InChI=1S/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKey
IYOKDPFKCXZKJU-UHFFFAOYSA-M
Smiles
CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-]
Isomeric SMILES
CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-]
WGK Germany
1
Molecular Weight
192.97
Reaxy-Rn
3939696
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3939696&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive；Heat sensitive
Molecular Weight
192.970 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
192.056 Da
Monoisotopic Mass
192.056 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
106.000
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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B2418402