Ethylmagnesium bromide - 1.0 M in tert-butyl methyl ether , CAS No.925-90-6

CAS: 925-90-6 Cat. No.: E434580 Molecular Weight: 133.27 Beilstein Registry Number: 3587203 EC Number: 213-127-3

GRADE & PURITY 1.0 M in tert-butyl methyl ether

Synonyms

Magnesium, bromoethyl- | bromo(ethyl)magnesium | Bromoethylmagnesium | BCP22969 | Ethyl magnesium bromide 40% in 2-MeTHF | BSPBio_002705 | DTXSID90883607 | EthylmagnesiumBromide | ethyl-magnesiumbromide | UNII-5564378HK3 | Ethylmagnesiumbromid | ethyl ma

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Magnesium, bromoethyl- | bromo(ethyl)magnesium | Bromoethylmagnesium | BCP22969 | Ethyl magnesium bromide 40% in 2-MeTHF | BSPBio_002705 | DTXSID90883607 | EthylmagnesiumBromide | ethyl-magnesiumbromide | UNII-5564378HK3 | Ethylmagnesiumbromid | ethyl ma

Specifications & Purity

1.0 M in tert-butyl methyl ether

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C[CH2-].[Mg+2].[Br-]
• IUPAC Name: magnesium;ethane;bromide
• InChIKey: FRIJBUGBVQZNTB-UHFFFAOYSA-M
• INCHI: 1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1
• Isomeric SMILES: C[CH2-].[Mg+2].[Br-]
• WGK Germany: 1
• UN Number: 3399
• Molecular Weight: 133.27
• Beilstein: 3587203
• Reaxy-Rn: 3535267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3535267&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 metal bromide salts Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide 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): 23.0 °F
• Flash Point(°C): -5 °C
• Molecular Weight: 133.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 131.942 Da
• Monoisotopic Mass: 131.942 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 6.000
• 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

XLogP3

References

1. Xianghe Meng, Dan Xiao, Qin Ye, Xiaohua Nie, Jiasheng Wu, Lili Song.  (2019)  Positional distribution of Δ5-olefinic acids in triacylglycerols from Torreya grandis seed oil: Isolation and purification of sciadonic acid.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2019.111917]