Sodium Diphenylphosphinobenzene-3-sulfonate - ≥90% , CAS No.63995-75-5

CAS: 63995-75-5 Cat. No.: S161392 Molecular Weight: 364.33 EC Number: 689-423-5 PubChem CID: 23668331

GRADE & PURITY ≥90%

Synonyms

sodium 3-(diphenylphosphanyl)benzene-1-sulfonate | 3-(Diphenylphosphino)benzenesulfonic acid sodium salt, technical, >=90% (31P-NMR) | D89981 | MFCD00144157 | NTUROZDXWLPVHB-UHFFFAOYSA-M | sodium m-(diphenylphosphino)benzenesulfonate | Diphenylphosphinobe

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

sodium 3-(diphenylphosphanyl)benzene-1-sulfonate | 3-(Diphenylphosphino)benzenesulfonic acid sodium salt, technical, >=90% (31P-NMR) | D89981 | MFCD00144157 | NTUROZDXWLPVHB-UHFFFAOYSA-M | sodium m-(diphenylphosphino)benzenesulfonate | Diphenylphosphinobe

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504769556
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769556
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-diphenylphosphanylbenzenesulfonate
• InChIKey: NTUROZDXWLPVHB-UHFFFAOYSA-M
• INCHI: 1S/C18H15O3PS.Na/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-14H,(H,19,20,21);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 23668331
• Molecular Weight: 364.33
• Reaxy-Rn: 3816095

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: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic phosphines and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylphosphine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Phosphine - Organic alkali metal salt - Organophosphorus compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic sodium salt - Organic salt - Organic cation - 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 & air sensitive
• Molecular Weight: 364.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 364.03 Da
• Monoisotopic Mass: 364.03 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 449.000
• 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

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