Tetrakis(hydroxymethyl)phosphonium chloride solution - 80% in H2O , CAS No.124-64-1

CAS: 124-64-1 Cat. No.: T166714 Molecular Weight: 190.56 Beilstein Registry Number: 3631670 EC Number: 204-707-7 PubChem CID: 31298

GRADE & PURITY 80% in H2O

Synonyms

58WB2XCF8I | FT-0631726 | WLN: Q1P1Q1Q1Q & G | Proban CC | EINECS 204-707-7 | NCGC00255382-01 | F71160 | HSDB 2923 | Phosphonium, chloro-tetrakis(hydroxymethyl)- | Tetrakis(Hydroxymethyl) Posphonium Chloride; THPC | SCHEMBL196471 | Tetrakis(hydroxymethyl)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

58WB2XCF8I | FT-0631726 | WLN: Q1P1Q1Q1Q & G | Proban CC | EINECS 204-707-7 | NCGC00255382-01 | F71160 | HSDB 2923 | Phosphonium, chloro-tetrakis(hydroxymethyl)- | Tetrakis(Hydroxymethyl) Posphonium Chloride; THPC | SCHEMBL196471 | Tetrakis(hydroxymethyl)

Specifications & Purity

80% in H2O

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488183161
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183161
• Canonical Smiles: C(O)[P+](CO)(CO)CO.[Cl-]
• IUPAC Name: tetrakis(hydroxymethyl)phosphanium;chloride
• InChIKey: AKXUUJCMWZFYMV-UHFFFAOYSA-M
• INCHI: 1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1
• Isomeric SMILES: C(O)[P+](CO)(CO)CO.[Cl-]
• WGK Germany: 3
• RTECS: TA2450000
• PubChem CID: 31298
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 190.56
• Beilstein: 3631670

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: Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organooxygen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 190.560 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 190.016 Da
• Monoisotopic Mass: 190.016 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 55.500
• 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

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