((2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)methyl)triphenylphosphonium bromide - ≥98% , CAS No.154057-58-6

CAS: 154057-58-6 Cat. No.: C191122 Molecular Weight: 618.52 PubChem CID: 46897064

GRADE & PURITY ≥98%

Synonyms

[[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]methyl]triphenylphosphonium Bromide | FT-0687498 | BCP06980 | [[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]methyl]triphenylphosphonium bromide;((2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)methyl)tripheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

[[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]methyl]triphenylphosphonium Bromide | FT-0687498 | BCP06980 | [[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]methyl]triphenylphosphonium bromide;((2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)methyl)tripheny

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC1C2=NC3=CC=CC=C3C(=C2C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)F.[Br-]
• IUPAC Name: [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl-triphenylphosphanium;bromide
• InChIKey: NLIQETRDGNRDCT-UHFFFAOYSA-M
• INCHI: 1S/C37H30FNP.BrH/c38-29-24-22-27(23-25-29)36-33-18-10-11-19-35(33)39-37(28-20-21-28)34(36)26-40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32;/h1-19,22-25,28H,20-21,26H2;1H/q+1;/p-1
• Isomeric SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)F.[Br-]
• PubChem CID: 46897064
• Molecular Weight: 618.52

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Phenylquinolines Phenylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Phenylquinoline - 4-phenylpyridine - Quinoline - Fluorobenzene - Halobenzene - Phenylphosphine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organophosphorus compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic salt - Organic bromide salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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: Moisture sensitive;air sensitive
• Molecular Weight: 618.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 617.128 Da
• Monoisotopic Mass: 617.128 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 740.000
• 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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