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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66321Generated: October 23, 2026

Lithium iodide

LiI · LITHIUM IODIDE · Lithium iodide (LiI) · Lithiumiodid · Tenephrol · Lithiumjodid · ithium iodide · Iodide lithiuM

https://huagongshe.com/en/chemical/66321

Lithium iodide molecular structure

Identifiers & Physical Properties

CAS No.10377-51-2
Molecular formulaILi
Average molar mass133.9 g/mol
Monoisotopic mass133.92048 g/mol
SMILES[I-].[Li+]
InChIKeyHSZCZNFXUDYRKD-UHFFFAOYSA-M
PubChem CID66321
EC No.233-822-5
DTXSIDDTXSID30908580

Chemical & Physical Properties

Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds0
Heavy atoms2
Formal charge0
Complexity2
Density4.06 @25 °C3.49 g/mL at 25 °C(lit.)
Boiling point1171 °C @760 [mm Hg]
Physical DescriptionTrihydrate: White, extremely hygroscopic solidSoluble in water[Hawley] White, light yellow, or pink odorless powder[MSDSonline]
Melting point446 °C(lit.)
Bulk density1000kg/m3
Refractive index1.955
Flash point1170-1190°C
Storage conditionsStore below +30°C.
Solubility1640g/l solubleSoluble in water, ethanol and acetone.
Physical statepowder
ColorWhite to yellow to beige
Specific gravity4.076
Specific heat capacityCp(crystal): 0.38 J/(g·K), at 25℃
SensitivityHygroscopic
Merck14,5535
Stabilityhygroscopic
Major applicationsbattery precursorscatalystsmaterial synthesis precursor
InChI1S/HI.Li/h1H/q+1/p-1
InChIKeyHSZCZNFXUDYRKD-UHFFFAOYSA-M
SMILES[Li+].[I-]
Indirect Additives used in Food Contact SubstancesLITHIUM IODIDE
FDA 21 CFR178.2010
CAS DataBase Reference10377-51-2(CAS DataBase Reference)
FDA UNIIS6K2XET783
EPA Substance Registry SystemLithium iodide (10377-51-2)
UNSPSC Code12352302
NACRESNA.23
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi
Risk statements (R)36/38-36/37/38-22
Safety statements (S)26-37/39
Water hazard class (WGK)1
F3-8-10-23
TSCA inventory statusTSCA listed
Customs code2827 60 00
Storage class11 - Combustible Solids
REACH registrationsActive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 17.2% (43 of 250) of reports.WarningH302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (67.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (72.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (47.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (44%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 250 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 43 of 250 reports by companies.There are 11 notifications provided by 207 of 250 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory informationChemical: Lithium iodide (LiI)Status: Active Update: 25-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34023Lithium iodide (LiI): Does not have an individual approval but may be used under an appropriate group standard
Other safety informationIMAP assessments - Lithium iodide (LiI): Human health tier I assessment
Hazards summaryAn irritant[MSDSonline] See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)Acute Tox. 4 (14%)Skin Irrit. 2 (67.2%)Eye Irrit. 2 (72.4%)STOT SE 3 (47.6%)Aquatic Acute 1 (44%)
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)
Protective Action Criteria (PAC)12 [mg/m3]130 [mg/m3]790 [mg/m3]
Adverse effectsNeurotoxin - Other CNS neurotoxinNephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.
F3-8-10-23
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)1
TSCA inventory statusTSCA listed
Customs code2827 60 00
Risk statements (R)36/38-36/37/38-22
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26-37/39
Storage class11 - Combustible Solids
GHS hazard statementsH315-H319
REACH registrationsActive
GHS precautionary statementsP264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Applications & Uses

Description

Lithium iodide (chemical formula: LiI) is the compound of lithium and iodine. It can be used as an electrolyte in high-temperature batteries, long-life batteries which is required, e.g. by artificial pacemaker as well as in the electrolyte of dye-sensitized solar cells. In organic synthesis, it can be used for C-O bonds cleavage such as converting methyl esters to carboxylic acids. In addition, it can be used as a radio contrast agent for X-ray computed tomography imaging studies.

Uses

Lithium iodide can be used for the catalytic dehydrogenation of hydrocarbons. Oxidation of lithium iodide yields iodine which reacts with the hydrocarbon to form an organic iodide. The intermediate is dehydroiodinated to yield an olefin.For example, butane may be converted to butadiene.

Uses

Controls regioselectivity in palladium catalyzed allylic alkylation reactions.1

Uses

It is used as a absorbent in refrigeration process, as a catalyst, and in photography. It is also useful for organic synthesis, pessat iodination, cleavage of esters, ethers, epoxides, decarboethoxylation, carbonylation, and aldol condensation. It is used for manufacturing medicines and mineral waters. It is used in electochemicstry and redox reactions. Lithium iodide is also a catalyzed conjugate addition reaction of β-dicarbonyl compounds. It is also useful for tetrathioquinodimethane.

Uses

Controls regioselectivity in palladium-catalyzed allylic alkylation reactions.

Preparation & Synthesis

Preparation

The laboratory preparation of lithium iodide is carried out in much the same way as the industrial preparation. Lithium iodide is prepared by the reaction of lithium hydroxide monohydrate or lithium carbonate with hydriodic acid, which may be prepared in situ by the reduction of iodine. The iodide is usually not isolated as the anhydrous material but is used as a solution or as the solid lithium iodide trihydrate. Hydriodic acid may be prepared by the reaction of hydrogen sulfide and iodine. The hydriodic acid solution must be kept under an inert atmosphere to prevent air oxidation to iodine. After combination of the acid with the lithium compounds, the solution may be evaporated to yield lithium iodide trihydrate, LiI· 3H20. The anhydrous material may be made by extremely careful dehydration of the trihydrate under vacuum and with slow heating. The lithium iodide or its trihydrate must be handled under an inert atmosphere to avoid oxidation of the iodide ion to iodine.

Preparation

The trihydrate salt is obtained by neutralization of lithium hydroxide or lithium carbonate solution with pure hydriodic acid followed by concentration of the solution for crystallization: LiOH + HI → LiI + H2O When heated in a vacuum, the trihydrate dehydrates to anhydrous salt.