Butylmagnesium chloride solution - 2.0 M in diethyl ether , CAS No.693-04-9

CAS: 693-04-9 Cat. No.: B433330 Formula: C₄H₉ClMg Molecular Weight: 116.87 Beilstein Registry Number: 3587228 EC Number: 211-739-5

GRADE & PURITY 2.0 M in diethyl ether

Synonyms

1-butyl magnesium chloride | UNII-4J83FGW852 | BuMgCl | butyl magnesium chloride | J-802168 | Butylmagnesium chloride | butyl-magnesium chloride | Butylmagnesium Chloride (23% in Tetrahydrofuran, ca. 2mol/L) | Magnesium, butylchloro- | AKOS015915256 | EIN

Storage

Room temperature

Specifications

Synonyms

1-butyl magnesium chloride | UNII-4J83FGW852 | BuMgCl | butyl magnesium chloride | J-802168 | Butylmagnesium chloride | butyl-magnesium chloride | Butylmagnesium Chloride (23% in Tetrahydrofuran, ca. 2mol/L) | Magnesium, butylchloro- | AKOS015915256 | EIN

Specifications & Purity

2.0 M in diethyl ether

Storage

Room temperature

Names and Identifiers

Canonical Smiles

CCC[CH2-].[Mg+2].[Cl-]

IUPAC Name

magnesium;butane;chloride

InChIKey

QUXHCILOWRXCEO-UHFFFAOYSA-M

INCHI

1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1

Isomeric SMILES

CCC[CH2-].[Mg+2].[Cl-]

WGK Germany

3

UN Number

3399

Molecular Weight

116.87

Beilstein

3587228

Reaxy-Rn

3587228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587228&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): 40 °C
• Flash Point(°C): 40°C
• Molecular Weight: 116.870 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.024 Da
• Monoisotopic Mass: 116.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 11.500
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 693-04-9, the molecular formula is C4H9ClMg, and the molecular weight is 116.87 g/mol. InChIKey QUXHCILOWRXCEO-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.