Allylmagnesium chloride solution - 2.0 M in THF , CAS No.2622-05-1

CAS: 2622-05-1 Cat. No.: A432500 Molecular Weight: 100.83 Beilstein Registry Number: 3587316 EC Number: 220-067-1

GRADE & PURITY 2.0 M in THF

Storage

Room temperature

Shipped In

Normal

Overview

Allylmagnesiumchloride solution is an organic compound commonly used as a Grignard reagent inchemical reactions. It is used for the allylation of carbonyl compounds, such as aldehydes and ketones.

Specifications

Specifications & Purity

2.0 M in THF

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: [CH2-]C=C.[Mg+2].[Cl-]
• IUPAC Name: magnesium;prop-1-ene;chloride
• InChIKey: CYSFUFRXDOAOMP-UHFFFAOYSA-M
• INCHI: 1S/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1
• Isomeric SMILES: [CH2-]C=C.[Mg+2].[Cl-]
• WGK Germany: 1
• UN Number: 3399
• Packing Group: I
• Molecular Weight: 100.83
• Beilstein: 3587316
• Reaxy-Rn: 3587316
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587316&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metal halides

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metal halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metal halides
• Alternative Parents: Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metal halide - Hydrocarbon derivative - Organic chloride salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metal halides. These are organic compounds containing metals and halogens. Some are ionic while others are covalently bonded.
• 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

• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17°C
• Boil Point(°C): 66°C
• Melt Point(°C): -21°C
• Molecular Weight: 100.830 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.993 Da
• Monoisotopic Mass: 99.993 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 14.400
• 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

XLogP3

References

1. Zhensheng Huang, Jingang Zhang, Biao Jiang, Lu Zhou.  (2025)  Synthesis of a gemini fluorinated sulfonate surfactant and its synergy with nano-SiO₂.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.139004]