4-Fluorobenzylzinc chloride solution - 0.5M in THF , CAS No.312693-07-5

CAS: 312693-07-5 Cat. No.: F465955 Molecular Weight: 209.96 EC Number: 806-450-1 PubChem CID: 2778179

GRADE & PURITY 0.5M in THF

Synonyms

(4-fluorobenzyl)zinc(II) chloride | chloro[(4-fluorophenyl)methyl]zinc | J-501405 | 4-Fluorobenzylzinc chloride, 0.5M in THF | AKOS015889283 | DTXSID701295679 | Zinc,chloro[(4-fluorophenyl)methyl]- | 4-Fluorobenzylzinc chloride 0.5 M in Tetrahydrofuran |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(4-fluorobenzyl)zinc(II) chloride | chloro[(4-fluorophenyl)methyl]zinc | J-501405 | 4-Fluorobenzylzinc chloride, 0.5M in THF | AKOS015889283 | DTXSID701295679 | Zinc, chloro[(4-fluorophenyl)methyl]- | 4-Fluorobenzylzinc chloride 0.5 M in Tetrahydrofuran |

Specifications & Purity

0.5M in THF

Legal Information

Rieke® Metals, Inc. 制造。®Rieke Metals, Inc. 的注册商标。

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

• Canonical Smiles: [CH2-]C1=CC=C(C=C1)F.Cl[Zn+]
• IUPAC Name: chlorozinc(1+);1-fluoro-4-methanidylbenzene
• InChIKey: HEXMIUITECMJJV-UHFFFAOYSA-M
• INCHI: 1S/C7H6F.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q-1;;+2/p-1
• Isomeric SMILES: [CH2-]C1=CC=C(C=C1)F.Cl[Zn+]
• WGK Germany: 3
• PubChem CID: 2778179
• UN Number: 2056
• Packing Group: II
• Molecular Weight: 209.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic transition metal salts Organic metal halides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic metal halide - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organic salt - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Molecular Weight: 210.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.943 Da
• Monoisotopic Mass: 207.943 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 72.000
• 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: 2

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