2-Naphthylmagnesium bromide solution - 0.5 M solution in THF , CAS No.21473-01-8

CAS: 21473-01-8 Cat. No.: N140702 Molecular Weight: 231.37 EC Number: 620-667-7

GRADE & PURITY 0.5 M solution in THF

Synonyms

(2-naphthyl)magnesium bromide | AKOS015913536 | 2-naphthylmagnesium bromide | 2-Naphthylmagnesiumbromide | 2-Naphthylmagnesium bromide, 0.50 M in 2-MeTHF | (2-naphthalenyl)magnesiumbromide | XNUCNPPAQXKAOY-UHFFFAOYSA-M | Magnesium,bromo-2-naphthalenyl- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2-naphthyl)magnesium bromide | AKOS015913536 | 2-naphthylmagnesium bromide | 2-Naphthylmagnesiumbromide | 2-Naphthylmagnesium bromide, 0.50 M in 2-MeTHF | (2-naphthalenyl)magnesiumbromide | XNUCNPPAQXKAOY-UHFFFAOYSA-M | Magnesium,bromo-2-naphthalenyl- |

Specifications & Purity

0.5 M solution in THF

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 508808553
• Canonical Smiles: C1=CC=C2C=[C-]C=CC2=C1.[Mg+2].[Br-]
• IUPAC Name: magnesium;2H-naphthalen-2-ide;bromide
• InChIKey: YLVLCBHNULZXLQ-UHFFFAOYSA-M
• INCHI: 1S/C10H7.BrH.Mg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-3,5-8H;1H;/q-1;;+2/p-1
• Isomeric SMILES: C1=CC=C2C=[C-]C=CC2=C1.[Mg+2].[Br-]
• WGK Germany: 3
• UN Number: 2924
• Packing Group: II
• Molecular Weight: 231.37
• Reaxy-Rn: 3538351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3538351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Sensitivity: Air & Moisture Sensitive
• Flash Point(°F): <1.4 °F
• Flash Point(°C): <-17 °C
• Boil Point(°C): 65 °C
• Molecular Weight: 231.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 229.958 Da
• Monoisotopic Mass: 229.958 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 175.000
• 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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