Cyclohexylmagnesium chloride solution - 1.3 M in THF/toluene (1:1) , CAS No.931-51-1

CAS: 931-51-1 Cat. No.: C434593 Molecular Weight: 142.91 Beilstein Registry Number: 3535440 EC Number: 213-237-1

GRADE & PURITY 1.3 M in THF/toluene (1:1)

Synonyms

Cyclohexylmagnesium chloride, 1.0 M in 2-MeTHF | DTXSID2061309 | OAG686RDSU | Magnesium,chlorocyclohexyl- | SCHEMBL351952 | CYCLOHEXYLMAGNESIUM CHLORIDE | cyclohexyl-magnesium chloride | Cyclohexylmagnesium cloride | Cyclohexylmagnesium chloride 1.0 M in

Storage

Room temperature

Specifications

Synonyms

Cyclohexylmagnesium chloride, 1.0 M in 2-MeTHF | DTXSID2061309 | OAG686RDSU | Magnesium, chlorocyclohexyl- | SCHEMBL351952 | CYCLOHEXYLMAGNESIUM CHLORIDE | cyclohexyl-magnesium chloride | Cyclohexylmagnesium cloride | Cyclohexylmagnesium chloride 1.0 M in

Specifications & Purity

1.3 M in THF/toluene (1:1)

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1CC[CH-]CC1.[Mg+2].[Cl-]
• IUPAC Name: magnesium;cyclohexane;chloride
• InChIKey: DEDWWARPYWCXMG-UHFFFAOYSA-M
• INCHI: 1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1
• Isomeric SMILES: C1CC[CH-]CC1.[Mg+2].[Cl-]
• WGK Germany: 3
• UN Number: 2924
• Packing Group: II
• Molecular Weight: 142.91
• Beilstein: 3535440
• Reaxy-Rn: 3536470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3536470&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 homomonocyclic compounds
• Substituents: Organic metal halide - Hydrocarbon derivative - Organic chloride salt - Aliphatic homomonocyclic 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): 12.2 °F
• Flash Point(°C): -11 °C
• Molecular Weight: 142.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.04 Da
• Monoisotopic Mass: 142.04 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 35.500
• 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

References

1. Yanlin Zhang, Churu Xie, Feng Long Gu, Honghai Wu, Qiang Guo.  (2016)  Significant visible-light photocatalytic enhancement in Rhodamine B degradation of silver orthophosphate via the hybridization of N-doped graphene and poly(3-hexylthiophene).  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:27152973] [10.1016/j.jhazmat.2016.04.068]