Lithium salicylate - PrimorTrace™, ≥99.99% metals basis , CAS No.552-38-5

CAS: 552-38-5 Cat. No.: L113214 Molecular Weight: 144.05 Beilstein Registry Number: 3732791 EC Number: 209-011-7

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

PSBOOKLOXQFNPZ-UHFFFAOYSA-M | UNII-93F1SP6QIN | L0285 | LITHIUMSALICYLATE | SCHEMBL107934 | Salicylic acid lithium salt | FT-0673243 | Lithium 2-hydroxybenzoate | Q18211657 | Lithium salicylate (7CI) | EINECS 209-011-7 | LITHIUM SALICYLATE [WHO-DD] | MFCD

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

PSBOOKLOXQFNPZ-UHFFFAOYSA-M | UNII-93F1SP6QIN | L0285 | LITHIUMSALICYLATE | SCHEMBL107934 | Salicylic acid lithium salt | FT-0673243 | Lithium 2-hydroxybenzoate | Q18211657 | Lithium salicylate (7CI) | EINECS 209-011-7 | LITHIUM SALICYLATE [WHO-DD] | MFCD

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Protected from light, Desiccated, Room temperature

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

• Pubchem Sid: 504769475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769475
• Canonical Smiles: [Li+].C1=CC=C(C(=C1)C(=O)[O-])O
• IUPAC Name: lithium;2-hydroxybenzoate
• InChIKey: PSBOOKLOXQFNPZ-UHFFFAOYSA-M
• INCHI: 1S/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
• Isomeric SMILES: [Li+].C1=CC=C(C(=C1)C(=O)[O-])O
• WGK Germany: 1
• Molecular Weight: 144.05
• Beilstein: 3732791
• Reaxy-Rn: 3732791
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3732791&ln=

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 Carboxylic acid salts Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid salt - Organic lithium salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - 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: Light sensitive.
• Melt Point(°C): >350°C
• Molecular Weight: 144.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.04 Da
• Monoisotopic Mass: 144.04 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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. Xiaoyu Zhang, Shimeng Zhou, Wenqiang Liu, Zijian Zhou, Yuandong Yang.  (2023)  Fabrication of structure-improved, sintering-resistant Li4SiO4 materials for stabilized thermochemical energy storage in concentrated solar power plants.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2023.108078]