Allyltributylphosphonium bromide - ≥98% , CAS No.55894-18-3

CAS: 55894-18-3 Cat. No.: A589480 Molecular Weight: 323.29

GRADE & PURITY ≥98%

Synonyms

DTXSID90971295 | TRIBUTYL(PROP-2-EN-1-YL)PHOSPHANIUM BROMIDE | Allyltributylphosphonium bromide | MFCD01706152 | ALLYL TRIBUTYLPHOSPHONIUM BROMIDE | allyl(tributyl)phosphonium;bromide | F71374 | Phosphonium, allyltributyl-, bromide | Allyltri-N-butylphosp

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID90971295 | TRIBUTYL(PROP-2-EN-1-YL)PHOSPHANIUM BROMIDE | Allyltributylphosphonium bromide | MFCD01706152 | ALLYL TRIBUTYLPHOSPHONIUM BROMIDE | allyl(tributyl)phosphonium;bromide | F71374 | Phosphonium, allyltributyl-, bromide | Allyltri-N-butylphosp

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: CCCC[P+](CCCC)(CCCC)CC=C.[Br-]
• IUPAC Name: tributyl(prop-2-enyl)phosphanium;bromide
• InChIKey: GGJHLMANZFSVPZ-UHFFFAOYSA-M
• INCHI: 1S/C15H32P.BrH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[P+](CCCC)(CCCC)CC=C.[Br-]
• NSC Number: NSC Number': ['222446
• Molecular Weight: 323.29
• Reaxy-Rn: 5657172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5657172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to four alkyl chains.
• 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: Hygroscopic
• Molecular Weight: 323.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 322.142 Da
• Monoisotopic Mass: 322.142 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 141.000
• 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