Lithium iodide hydrate - ≥99.995% metals basis , CAS No.85017-80-7

CAS: 85017-80-7 Cat. No.: L118835 Molecular Weight: 133.85 EC Number: 677-039-0 PubChem CID: 23688290

GRADE & PURITY ≥99.995% metals basis

Synonyms

Lithium iodide hydrate|85017-80-7|lithium;iodide;hydrate|lithium iodide monohydrate|17023-24-4|MFCD00149769|Lithium iodide xhydrate|LiI.H2O|lithium iodide mono hydrate|WAZWGFFJLSIDMX-UHFFFAOYSA-M|6-HYDROXYHEXANOICACIDMETHYLESTER|AKOS015855122|FT-0695067|A

Storage

Room temperature

Shipped In

Normal

Overview

Reagent for ester cleavage and decarboxylation; C-C bond forming reactions; used as source of nucleophilic iodide; used as mild Lewis acid; epoxide opening; used as an additive for organometallic-mediated transformations.

Specifications

Synonyms

Lithium iodide hydrate | 85017-80-7 | lithium;iodide;hydrate | lithium iodide monohydrate | 17023-24-4 | MFCD00149769 | Lithium iodide xhydrate | LiI.H2O | lithium iodide mono hydrate | WAZWGFFJLSIDMX-UHFFFAOYSA-M | 6-HYDROXYHEXANOICACIDMETHYLESTER | AKOS015855122 | FT-0695067 | A

Specifications & Purity

≥99.995% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.995% metals basis

Names and Identifiers

• Canonical Smiles: [Li+].O.[I-]
• IUPAC Name: lithium;iodide;hydrate
• InChIKey: WAZWGFFJLSIDMX-UHFFFAOYSA-M
• INCHI: 1S/HI.Li.H2O/h1H;;1H2/q;+1;/p-1
• Isomeric SMILES: [Li+].O.[I-]
• WGK Germany: 3
• PubChem CID: 23688290
• Molecular Weight: 133.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkali metal salts
      • Subclass Alkali metal iodides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkali metal salts
• Subclass: Alkali metal iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkali metal iodides
• Alternative Parents: Inorganic lithium salts
• Molecular Framework: Not available
• Substituents: Alkali metal iodide - Inorganic lithium salt - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkali metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is an alkali metal.
• 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,Air & Moisture sensitive
• Melt Point(°C): 73°C
• Molecular Weight: 151.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.931 Da
• Monoisotopic Mass: 151.931 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.000
• 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: 3

XLogP3