Tetrabutylammonium Salicylate - ≥98%(HPLC) , CAS No.22307-72-8

CAS: 22307-72-8 Cat. No.: T162215 Molecular Weight: 379.59 EC Number: 606-975-4 PubChem CID: 54707142

GRADE & PURITY ≥98%(HPLC)

Synonyms

F87496 | T1276 | Tetrabutylammonium Salicylate | DTXSID00716098 | N,N,N-Tributylbutan-1-aminium 2-carboxyphenolate | TETRA-N-BUTYLAMMONIUMSALICYLATE | tetrabutylammonium 2-hydroxybenzoate | tetrabutylammonium 2-hydroxy-benzoate | AKOS015838932 | Tetrabuty

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

F87496 | T1276 | Tetrabutylammonium Salicylate | DTXSID00716098 | N, N, N-Tributylbutan-1-aminium 2-carboxyphenolate | TETRA-N-BUTYLAMMONIUMSALICYLATE | tetrabutylammonium 2-hydroxybenzoate | tetrabutylammonium 2-hydroxy-benzoate | AKOS015838932 | Tetrabuty

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488201715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201715
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-]
• IUPAC Name: 2-carboxyphenolate;tetrabutylazanium
• InChIKey: ZWRWGKGPUFESNE-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.C7H6O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6-4-2-1-3-5(6)7(9)10/h5-16H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-]
• PubChem CID: 54707142
• Molecular Weight: 379.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Salicylic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• 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
• Melt Point(°C): 92℃
• Molecular Weight: 379.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 379.309 Da
• Monoisotopic Mass: 379.309 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 249.000
• 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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