Home > Compound List > Compound details
85017-80-7 molecular structure
click picture or here to close

lithium(1+) ion hydrate iodide

ChemBase ID: 145535
Molecular Formular: ILiO
Molecular Mass: 149.84487
Monoisotopic Mass: 149.91539217
SMILES and InChIs

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

Cite this record

CBID:145535 http://www.chembase.cn/molecule-145535.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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®
CAS Number
85017-80-7
EC Number
233-822-5
MDL Number
MFCD00149769
Merck Index
145535
PubChem SID
162239740
24853406
24868689
24882236
PubChem CID
23688290

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23688290 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.09  LogD (pH = 5.5) 0.0 
LogD (pH = 7.4) 0.0  H Acceptors
H Donor Log P 0.0 
Molar Refractivity 0.0 cm3 Polarizability 1.7969184 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline Aggregates expand Show data source
powder and chunks expand Show data source
solid expand Show data source
Melting Point
73 °C(lit.) expand Show data source
73°C -H{2}O expand Show data source
Density
3.48 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.955(lit.) expand Show data source
Storage Warning
Light Sensitive & Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (calc. based on dry substance, AT) expand Show data source
98% expand Show data source
99.995% (metals basis) expand Show data source
99.999% trace metals basis expand Show data source
Grade
purum p.a. expand Show data source
Compostion
Degree of hydration, 1.5-3 expand Show data source
Impurities
≤30% water expand Show data source
2-3 mol water expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
bromide, chloride (as Cl-): ≤200 mg/kg expand Show data source
sulfate (SO42-): ≤200 mg/kg expand Show data source
Linear Formula
LiI · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 452327 external link
Packaging
5, 25, 100 g in poly bottle
Sigma Aldrich - 223816 external link
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

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle