Cyclopropyltriphenylphosphonium Bromide - ≥97.0%(HPLC) , CAS No.14114-05-7

CAS: 14114-05-7 Cat. No.: C153399 Molecular Weight: 383.27 Beilstein Registry Number: 4170280 EC Number: 237-970-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

A853172 | Phosphonium,cyclopropyltriphenyl-,bromide(1:1) | SY112004 | MFCD00011872 | cyclopropyltriphenyl-phosphonium bromide | FT-0604895 | NSC110599 | NSC-110599 | cyclopropyl(triphenyl)phosphonium bromide | AKOS005216619 | cyclopropyl triphenylphosphon

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A853172 | Phosphonium, cyclopropyltriphenyl-, bromide(1:1) | SY112004 | MFCD00011872 | cyclopropyltriphenyl-phosphonium bromide | FT-0604895 | NSC110599 | NSC-110599 | cyclopropyl(triphenyl)phosphonium bromide | AKOS005216619 | cyclopropyl triphenylphosphon

Specifications & Purity

≥97.0%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: cyclopropyl(triphenyl)phosphanium;bromide
• InChIKey: XMPWFKHMCNRJCL-UHFFFAOYSA-M
• INCHI: 1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
• Isomeric SMILES: C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• WGK Germany: 3
• Molecular Weight: 383.27
• Beilstein: 4170280
• Reaxy-Rn: 4170278
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4170278&ln=

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: Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Aromatic homomonocyclic 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

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 178-181 °C
• Molecular Weight: 383.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 382.049 Da
• Monoisotopic Mass: 382.049 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 295.000
• 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

XLogP3