(Hydroxymethyl)triphenylphosphonium chloride - ≥95% , CAS No.5293-83-4

CAS: 5293-83-4 Cat. No.: H170810 Molecular Weight: 328.77 EC Number: 226-138-3

GRADE & PURITY ≥95%

Synonyms

hydroxymethyl triphenylphosphonium chloride | hydroxymethyl(triphenyl)phosphanium;chloride | (Hydroxymethyl)triphenylphosphonium chloride | A829316 | NSC 221281 | DTXSID30967399 | (Hydroxymethyl)(triphenyl)phosphanium chloride | D70117 | NSC221281 | NSC-2

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

hydroxymethyl triphenylphosphonium chloride | hydroxymethyl(triphenyl)phosphanium;chloride | (Hydroxymethyl)triphenylphosphonium chloride | A829316 | NSC 221281 | DTXSID30967399 | (Hydroxymethyl)(triphenyl)phosphanium chloride | D70117 | NSC221281 | NSC-2

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)[P+](CO)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• IUPAC Name: hydroxymethyl(triphenyl)phosphanium;chloride
• InChIKey: VTXFLDLWTNQCAL-UHFFFAOYSA-M
• INCHI: 1S/C19H18OP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CO)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• Molecular Weight: 328.77
• Reaxy-Rn: 4170800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4170800&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: Organophosphorus compounds Organooxygen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organophosphorus compound - Organooxygen 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

• Sensitivity: Moisture sensitive；air sensitive
• Molecular Weight: 328.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 328.078 Da
• Monoisotopic Mass: 328.078 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 253.000
• 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