2-Methyl-2-phenylpropylmagnesium chloride solution - 0.5 M in THF , CAS No.35293-35-7

CAS: 35293-35-7 Cat. No.: M141044 Molecular Weight: 192.97 EC Number: 252-492-3

GRADE & PURITY 0.5 M in THF

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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

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

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.

Names and Identifiers

• Canonical Smiles: CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-]
• IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride
• InChIKey: IYOKDPFKCXZKJU-UHFFFAOYSA-M
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；Heat sensitive
• Flash Point(°F): -18.0°F
• Flash Point(°C): -27.8°C
• Boil Point(°C): 34.6℃
• Molecular Weight: 192.970 g/mol
• 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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