lithium(1+) ion hydrate iodide

• ChemBase ID: 145535
• Molecular Formular: ILiO
• Molecular Mass: 149.84487
• Monoisotopic Mass: 149.91539217
• SMILES: [Li+].O.[I-]
• Canonical SMILES: [Li+].O.[I-]
• InChI: InChI=1S/HI.Li.H2O/h1H;;1H2/q;+1;/p-1
• InChIKey: WAZWGFFJLSIDMX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion hydrate iodide
• IUPAC Traditional name: lithium(1+) ion hydrate iodide
• Synonyms: Lithium iodide hydrate; Lithium iodide hydrate, Puratronic®; 碘化锂 水合物; 碘化锂水合物, Puratronic®

Database IDs

• CAS Number: 85017-80-7
• EC Number: 233-822-5
• MDL Number: MFCD00149769
• Merck Index: 145535
• PubChem SID: 24853406; 162239740; 24868689; 24882236
• PubChem CID: 23688290

CALCULATED PROPERTIES

• Acid pKa: 3.09
• LogD (pH = 5.5): 0.0
• LogD (pH = 7.4): 0.0
• H Acceptors: 0
• H Donor: 0
• Log P: 0.0
• Molar Refractivity: 0.0 cm^3
• Polarizability: 1.7969184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates; powder and chunks; solid
• Melting Point: 73 °C(lit.); 73°C -H{2}O
• Density: 3.48 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.955(lit.)

Safety Information

• Storage Warning: Light Sensitive & Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (calc. based on dry substance, AT); 98%; 99.995% (metals basis); 99.999% trace metals basis
• Grade: purum p.a.
• Compostion: Degree of hydration, 1.5-3
• Impurities: ≤30% water; 2-3 mol water
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: bromide, chloride (as Cl-): ≤200 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Linear Formula: LiI · xH2O

DETAILS

Sigma Aldrich - 452327

Packaging
5, 25, 100 g in poly bottle

Sigma Aldrich - 223816

Application
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.
Packaging
100, 500 g in glass bottle