4-Chlorophenylmagnesium bromide solution - 1.0 M in diethyl ether , CAS No.873-77-8

CAS: 873-77-8 Cat. No.: C434301 Peso molecular: 215.76 Número EC: 212-853-8 PubChem CID: 101888

GRADE & PURITY 1.0 M in diethyl ether

Synonyms

RESORCINOL MONOACETATE [MI] | Magnesium,bromo(4-chlorophenyl)- | 4-chlorophenyhnagnesium bromide | BENZENE,1,3-DIHYDROXY RESORCINOL | MFCD00009926 | 4-Chlorophenylmagnesium bromide 0.5 M in Tetrahyrdofuran | 4-chlorphenylmagnesium bromide | AKOS01589025

Storage

Room temperature

Specifications

Sinónimos

RESORCINOL MONOACETATE [MI] | Magnesium, bromo(4-chlorophenyl)- | 4-chlorophenyhnagnesium bromide | BENZENE, 1, 3-DIHYDROXY RESORCINOL | MFCD00009926 | 4-Chlorophenylmagnesium bromide 0.5 M in Tetrahyrdofuran | 4-chlorphenylmagnesium bromide | AKOS01589025

Especificaciones y pureza

1.0 M in diethyl ether

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=[C-]1)Cl.[Mg+2].[Br-]
• IUPAC Name: magnesium;chlorobenzene;bromide
• InChIKey: DLJIPJMUYCUTOV-UHFFFAOYSA-M
• INCHI: 1S/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
• Isómeros SMILES: C1=CC(=CC=[C-]1)Cl.[Mg+2].[Br-]
• WGK Alemania: 3
• PubChem CID: 101888
• Número ONU: 2924
• Grupo de embalaje: II
• Peso molecular: 215.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organic metal halides Organic metal bromide salts Organochlorides Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene 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

Propiedades químicas y físicas

• Punto de inflamación (°F): -40 °C
• Punto de inflamación (°C): -40°C
• Peso molecular: 215.760 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.904 Da
• Monoisotopic Mass: 213.904 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• 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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