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Lityum Heksa Floro Fosfat, Lithium Hexafluorophosphate, Lithium Hexa Fluoro Phosphate, Lithium Phosphorus Fluoride, 21324‑40‑3

Lityum Heksa Floro Fosfat, Lithium Hexafluorophosphate, Lithium Hexa Fluoro Phosphate, Lithium Phosphorus Fluoride, 21324‑40‑3

LITHIUM HEXAFLUOROPHOSPHATE (LIPF₆)
LITHIUM HEXAFLUOROPHOSPHATE / LITHIUM SALT OF HEXAFLUOROPHOSPHORIC ACID
1. PRODUCT IDENTIFICATION AND CHEMICAL IDENTITY

Parameter Information
Product Name Lithium Hexafluorophosphate
Chemical Name Lithium Hexafluorophosphate, Lithium Phosphorus Fluoride
Other Names LiPF₆, Lithium salt of hexafluorophosphoric acid, Hexafluoro‑, lithium
Trade Names Purelyte, Powerlyte
IUPAC Name Lithium hexafluorophosphate
CAS Number 21324-40-3
EC Number (EINECS) 244-394-9
Chemical Formula LiPF₆
Molecular Weight 151.91 g/mol
Appearance White crystalline powder
Odor Characteristic (HF odor upon hydrolysis)
Physical State (20°C) Solid (powder)

2. CHEMICAL STRUCTURE
2.1. Molecular Structure
Lithium hexafluorophosphate is an inorganic salt composed of lithium and hexafluorophosphate anion. Lithium ions (Li⁺) and hexafluorophosphate anions (PF₆⁻) are present in a 1:1 ratio. It has an ionic crystal structure in solid state. It is the most commonly used electrolyte salt in lithium-ion batteries. It is highly hygroscopic; upon contact with moisture, it rapidly hydrolyzes releasing hydrofluoric acid (HF).

Structural Features:

                    LITHIUM HEXAFLUOROPHOSPHATE [LiPF₆]
                          |
                Li⁺ - PF₆⁻ Ionic Bonds
                          |
        +----------------+----------------+
        |                |                |
    Hygroscopic       Lithium-Ion      Hydrolysis
    Crystal           Battery          with Moisture
    Structure         Electrolyte     (HF Formation)

2.2. Structural Properties

Parameter Value
Crystal Structure Ionic crystal
Chemical Formula LiPF₆
Molecular Weight 151.91 g/mol
Density ~1.5 g/cm³
Appearance White crystalline powder
Melting Point ~200 °C (decomposes upon heating)
Hygroscopicity High

3. PHYSICAL AND CHEMICAL PROPERTIES

Property Value Description
Appearance White crystalline powder -
Odor Characteristic HF odor upon hydrolysis
Chemical Formula LiPF₆ -
Molecular Weight 151.91 g/mol -
Density ~1.5 g/cm³ -
Melting Point ~200 °C Decomposes upon heating
Solubility in Water (25°C) Very low solubility Hydrolyzes
Solubility in Organic Carbonates Soluble Soluble in EC, DMC, DEC, EMC
Stability Rapidly hydrolyzes in humid environments Releases HF
Hygroscopicity High Must be stored under inert atmosphere
Conductivity (in EC/DMC) ~10.7 mS/cm (1.0 M, 25°C) -

4. PURITY GRADES

Parameter Technical Grade High Purity Grade Battery Grade
Purity (LiPF₆) ≥ 97.0% ≥ 98.0% ≥ 99.9%
Acid (HF) Content ≤ 100 ppm ≤ 50 ppm ≤ 20 ppm
Water (H₂O) Content ≤ 100 ppm ≤ 50 ppm ≤ 20 ppm
Lithium (Li) Content - - ≥ 4.5%
Iron (Fe) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Calcium (Ca) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Sodium (Na) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Potassium (K) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Chloride (Cl⁻) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Sulfate (SO₄²⁻) ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm
Other Heavy Metals ≤ 50 ppm ≤ 20 ppm ≤ 10 ppm

5. STABILITY AND REACTIVITY

Parameter Information
Chemical Stability Stable under dry and inert atmosphere; rapidly hydrolyzes in humid environments.
Conditions to Avoid Moisture, water, high temperature (>200°C), oxidizing agents.
Incompatible Materials Water, moisture, strong oxidizing agents, strong bases, heat.
Hazardous Decomposition Products Upon hydrolysis: hydrofluoric acid (HF), phosphoryl fluoride (POF₃), lithium fluoride (LiF).
Hazardous Polymerization Will not occur.
Hygroscopicity High; rapidly absorbs moisture and may liquefy when exposed to air.

5.1. Chemical Reactions

  • Hydrolysis (with Moisture):
    LiPF₆ + H₂O → LiF + POF₃ + 2HF
    LiPF₆ + 2H₂O → LiF + H₂PO₄ + 5HF

  • Thermal Decomposition (~200°C):
    LiPF₆ → LiF + PF₅↑

  • Reaction with Alkali:
    LiPF₆ + 4NaOH → LiOH + NaF + Na₃PO₄ + 3H₂O

6. APPLICATION AREAS
6.1. Energy Storage (Lithium-Ion Batteries)

Application Function Details
Lithium-Ion Battery Electrolyte Li⁺ ion carrier Most commonly used electrolyte salt
Electrolyte Solution Conductivity provider Dissolved in organic carbonate solvents
Solid-State Electrolytes Ionic conductor Research stage

6.2. Electronic Devices

Application Function Details
Portable Devices Battery electrolyte Mobile phones, laptops, tablets
Electric Vehicle (EV) Batteries Battery electrolyte High energy density batteries
Energy Storage Systems Battery electrolyte Grid-scale energy storage

6.3. Research and Development

Application Function Details
New Electrolyte Development Electrolyte studies For high-voltage cathode materials
Battery Performance Improvement Testing and analysis Energy density and lifetime studies
Solid-State Battery Research Ionic conductor Advanced battery technologies

6.4. Sectoral Suitability Table

Sector Suitability Explanation
Energy Storage Suitable Li-ion battery electrolyte
Electronics Suitable EV and portable device batteries
Chemical Industry Suitable Electrolyte precursor
Research Suitable New electrolyte and battery development
Food Not Suitable Toxic, not permitted
Pharmaceutical Not Suitable Toxic, not permitted

7. PRODUCTION PROCESS

Stage Process Description
1. Raw Material Preparation Lithium fluoride (LiF) and phosphorus pentafluoride (PF₅) High purity starting materials
2. Reaction LiF + PF₅ → LiPF₆ Reaction under controlled conditions
3. Purification Crystallization Removal of impurities
4. Drying Vacuum drying Minimization of moisture content
5. Quality Control Analysis and testing ICP-OES, Karl Fischer, XRD
6. Packaging Under inert atmosphere Must be protected from moisture and air

7.1. Major Producing Countries

Country Description
China Major producer
Japan High purity producer
USA Battery material producer
Europe Battery material producer

8. ALTERNATIVE / SUBSTITUTE PRODUCTS

Alternative Description When to Use
Lithium Tetrafluoroborate (LiBF₄) Alternative electrolyte salt When wider temperature range is required
Lithium Perchlorate (LiClO₄) Alternative electrolyte salt Laboratory studies
Lithium Triflate (LiCF₃SO₃) Alternative electrolyte salt Special battery applications
Lithium Bis(oxalato)borate (LiBOB) Alternative electrolyte salt High temperature batteries
Lithium Bis(trifluoromethanesulfonyl)imide (LiTFSI) Alternative electrolyte salt Solid-state and polymer electrolytes

9. SAFETY AND TOXICOLOGY

Parameter Value
Acute Oral Toxicity (LD50, Rat) > 500 mg/kg (toxic)
Dermal Toxicity Toxic
Skin Irritation Irritant
Eye Irritation Serious irritant
Inhalation Dust inhalation may cause respiratory tract irritation; HF formation upon hydrolysis
Carcinogenicity Not classified as carcinogenic
Mutagenicity May be mutagenic
Chronic Effects Due to HF formation: fluorosis of bones and teeth
Environmental Hazards Toxic to aquatic life; fluoride ion content

9.1. GHS Classification

Hazard Class Category H-Statement
Acute Toxicity Category 3 (Oral) H301: Toxic if swallowed
Acute Toxicity Category 3 (Dermal) H311: Toxic in contact with skin
Skin Irritation Category 2 H315: Causes skin irritation
Eye Irritation Category 2A H319: Causes serious eye irritation
Specific Target Organ Toxicity Category 3 H335: May cause respiratory irritation
Hazardous to the Aquatic Environment Category 2 H401: Toxic to aquatic life

Signal Word: DANGER

Hazard Pictograms: GHS06 (Toxic), GHS07 (Exclamation Mark)

10. PRECAUTIONARY STATEMENTS (P-CODES)

Code Statement
P261 Avoid breathing dust
P264 Wash thoroughly after handling
P270 Do not eat, drink or smoke when using this product
P271 Use only in well-ventilated areas
P280 Wear protective gloves/eye protection/face protection
P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor
P302+P352 IF ON SKIN: Wash with plenty of soap and water
P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do
P312 Call a POISON CENTER or doctor if you feel unwell
P337+P313 If eye irritation persists: Get medical advice/attention
P405 Store locked up
P501 Dispose of contents/container in accordance with local regulations

11. FIRST AID MEASURES

Exposure Route Action to Take
Inhalation Remove to fresh air. If symptoms persist, seek medical attention.
Skin Contact Wash with plenty of soap and water. Remove contaminated clothing. If irritation persists, seek medical attention.
Eye Contact Rinse thoroughly with plenty of water for at least 15 minutes. Remove contact lenses. If irritation persists, seek medical attention.
Ingestion Rinse mouth. Do not induce vomiting. Drink plenty of water. If large amount is swallowed, seek medical attention.

12. STORAGE AND SHELF LIFE

Parameter Condition
Storage Conditions Store in a cool, dry, and well-ventilated area. Store under inert atmosphere (Argon or Nitrogen).
Container Requirements Stainless steel or PTFE-lined containers, tightly sealed, moisture-proof.
Temperature Room temperature (15-25°C) or cold storage.
Shelf Life 6-12 months under appropriate conditions (protected from moisture and heat).
Stability Note Rapidly hydrolyzes in humid environments; must be stored with extreme care due to HF formation.

13. PACKAGING OPTIONS

Packaging Type Quantity Material
Laboratory Packaging 10 g, 25 g, 50 g, 100 g, 500 g PTFE-lined bottle, aluminum foil bag, inert atmosphere
Industrial Packaging 1 kg, 5 kg, 10 kg Stainless steel drum, inert atmosphere
Solution Packaging 1 L, 5 L, 20 L, 200 L Stainless steel or HDPE containers

14. TRANSPORT INFORMATION

Parameter Information
UN Number 2025
Hazard Class 6.1 (Toxic substances)
Packing Group II
ADR/RID Regulated
IMDG Regulated
IATA Regulated
HS Code 2826.19.00.00.00 (Other fluorides)

15. REGULATORY STATUS

Region / Authority Status
European Union (REACH) Registered; toxic, hazardous to the environment
Turkey (KKDIK) Compliance required
TSCA (USA) Registered
CLP/GHS Toxic Category 3, Environment Category 2
EINECS 244-394-9
China Registered; major production and export country
PubChem CID 23688915
ChEBI CHEBI:172376
UNII T9T8DY51J3

16. OTHER NAMES AND SYNONYMS

Name Description
Lithium Hexafluorophosphate English chemical name
Lityum Heksaflorofosfat Turkish chemical name
LiPF₆ Chemical abbreviation
Lithium salt of hexafluorophosphoric acid Chemical description
Hexafluoro‑, lithium Alternative name
Purelyte Trade name
Powerlyte Trade name
Lithium Phosphorus Fluoride Alternative name

17. QUICK REFERENCE TABLE

Property Value
CAS Number 21324-40-3
EC Number 244-394-9
Chemical Formula LiPF₆
Molecular Weight 151.91 g/mol
Appearance White crystalline powder
Density ~1.5 g/cm³
Melting Point ~200 °C (decomposes)
UN Number 2025
HS Code 2826.19.00.00.00
GHS Signal Word DANGER
PubChem CID 23688915
UNII T9T8DY51J3

18. CRITICAL WARNINGS AND BEST PRACTICES

CRITICAL WARNINGS:

  • High Hygroscopicity: LiPF₆ has very high moisture absorption capacity. When exposed to air, it rapidly absorbs moisture, hydrolyzes, and releases toxic HF (hydrofluoric acid) gas. Must only be handled under inert atmosphere (Argon or Nitrogen).

  • HF Formation: HF generated by hydrolysis is extremely corrosive and toxic. Exposure can cause severe burns, respiratory damage, and death.

  • Thermal Decomposition: Decomposes above ~200°C releasing toxic PF₅ gas.

  • Contact with Water: Reacts violently with water. Do not use water for fire extinguishing.

  • Storage: Must be stored under inert atmosphere, dry and cool conditions. Stainless steel or PTFE-lined containers must be used.

  • Battery Grade Purity: Lithium-ion battery applications require ≥99.9% purity. Impurities (especially water and acid) adversely affect battery performance and lifetime.

BEST PRACTICE RECOMMENDATIONS:

  • Storage:

    • Store under inert atmosphere (Argon or Nitrogen), dry and cool conditions (15-25°C).

    • Use stainless steel or PTFE-lined, tightly sealed containers.

    • Must be completely isolated from moisture and air.

    • Glovebox or dry room (dew point < -40°C) is required.

  • Handling:

    • Use only under inert atmosphere (Argon or Nitrogen), in glovebox or dry room.

    • Use a dust mask (P3 filter), chemically resistant gloves (nitrile or neoprene), protective goggles, and face shield.

    • Avoid dust formation and inhalation.

    • Wash hands and equipment thoroughly after use.

    • Do not allow contact with water or moisture.

    • Keep calcium carbonate or calcium hydroxide for HF neutralization.

  • Waste Management:

    • Dispose of in accordance with local regulations at licensed disposal facilities.

    • Do not discharge into water sources.

    • Take precautions against HF formation during waste treatment.

LEGAL DISCLAIMER
This Technical Data Sheet (TDS) is for informational purposes only and has been prepared based on available technical data. The user is solely responsible for determining the suitability of the product for their specific applications and for complying with all local, national, and international regulations. For complete safety, storage, handling, transport, disposal, and regulatory compliance information, the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier must be consulted. This document does not substitute professional advice. Lithium hexafluorophosphate is a critical electrolyte salt in lithium-ion batteries; due to high hygroscopicity and HF formation, it must be handled with extreme care and stored and used under inert atmosphere.

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