Butyltriphenylphosphonium chloride - ≥98% , CAS No.13371-17-0

CAS: 13371-17-0 Cat. No.: B102913 Molecular Weight: 354.85 EC Number: 236-443-3

GRADE & PURITY ≥98%

Synonyms

butyl(triphenyl)phosphanium chloride | D89162 | Phosphonium, butyltriphenyl-, chloride | triphenylbutylphosphonium chloride | EINECS 236-443-3 | MFIUDWFSVDFDDY-UHFFFAOYSA-M | Butyltriphenylphosphonium chloride | butyl(triphenyl)phosphanium;chloride | FT-0

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

butyl(triphenyl)phosphanium chloride | D89162 | Phosphonium, butyltriphenyl-, chloride | triphenylbutylphosphonium chloride | EINECS 236-443-3 | MFIUDWFSVDFDDY-UHFFFAOYSA-M | Butyltriphenylphosphonium chloride | butyl(triphenyl)phosphanium;chloride | FT-0

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• IUPAC Name: butyl(triphenyl)phosphanium;chloride
• InChIKey: MFIUDWFSVDFDDY-UHFFFAOYSA-M
• INCHI: 1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• WGK Germany: 3
• UN Number: 3464
• Packing Group: III
• Molecular Weight: 354.85
• Reaxy-Rn: 4625901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4625901&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 chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic chloride 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 Methanol
• Sensitivity: Hygroscopic
• Melt Point(°C): 226-230°C
• Molecular Weight: 354.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 354.13 Da
• Monoisotopic Mass: 354.13 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 273.000
• 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

References

1. Bingning Wang, Yeshuang Wang, Zhen Wang, Song Yang, Chao Yang, Jiawei Kou, Huiling Fan, Ju Shangguan.  (2025)  Strong interaction of tetrabutylphosphonium chloride and γ-Al2O3 induces dissociation of H2O and generation of basic hydroxyl groups for promoting the carbonyl sulfide hydrolysis at a low temperature.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.133279]