Neodymium Iodide, Neodymium Triiodide, Neodymium (III) Iodide, 13813-24-6

NEODYMIUM IODIDE (NEODYMIUM(III) IODIDE) 

Chemical Name: Neodymium(III) Iodide / Neodymium Triiodide
CAS Number: 13813-24-6
EC Number: 237-263-3
UN Number: 3077 (Environmentally hazardous substance)
Customs Tariff Code: 2846.90.00.00.19

1. PRODUCT IDENTIFICATION AND CHEMICAL IDENTITY

CHEMICAL STRUCTURE AND DESCRIPTION:

Neodymium Iodide (NdI₃) is the iodide salt of neodymium in the +3 oxidation state. The compound consists of neodymium ions (Nd³⁺) coordinated by iodide ions (I⁻) in a trigonal BiI₃-type crystal structure. It is highly hygroscopic and readily absorbs moisture from air. Neodymium Iodide is soluble in water and polar organic solvents, making it a valuable precursor for organometallic synthesis and other chemical applications. It is used as a Lewis acid catalyst, as a neodymium source for various applications, and in specialized optical systems.

Structural Features:

• Trigonal BiI₃-type crystal structure

• Highly hygroscopic

• Soluble in water and polar organic solvents

• Characteristic light purple-pink color

• Lewis acid properties

2. PHYSICAL AND CHEMICAL PROPERTIES

Neodymium Iodide is a light purple-pink, highly hygroscopic crystalline solid with a density of approximately 5.5 g/cm³ and a melting point of ~782°C. It is soluble in water, alcohol, and polar organic solvents. Its extreme sensitivity to air and moisture requires handling under inert atmosphere in airtight containers. The compound exhibits paramagnetic properties typical of neodymium compounds.

3. SOLUBILITY PROFILE

Neodymium Iodide is soluble in water and various polar organic solvents including ethanol, acetone, tetrahydrofuran (THF), and acetonitrile. Its solubility in aprotic organic solvents makes it valuable for organometallic chemistry and organic synthesis applications. It is insoluble in non-polar hydrocarbons.

4. CHEMICAL PROPERTIES AND REACTIONS

Neodymium Iodide is a reactive Lewis acid that can form organoneodymium reagents when reacted with organolithium compounds. It is highly hygroscopic and decomposes upon moisture exposure. The compound forms complexes with various ligands due to the coordination ability of the Nd³⁺ ion.

Key Chemical Reactions:

Synthesis (Precipitation):
Nd³⁺ + 3I⁻ → NdI₃ ↓

Reaction with Air/Moisture:
NdI₃ + H₂O → NdOI + 2HI (decomposition in moist air)

Organoneodymium Reagent Formation:
NdI₃ + RLi → RNdI₂ + LiI

5. SPECIFICATIONS (TECHNICAL AND HIGH PURITY)

Neodymium Iodide is available in various grades from technical to high purity (≥ 99.9% - 99.999%). Ultra-dry grades with water content <0.1% are essential for moisture-sensitive applications such as organometallic synthesis. High purity grades are preferred for research, optical, and electronic applications where trace impurities significantly affect performance.

6. APPLICATIONS AND INDUSTRIAL USES

6.1. Organometallic and Organic Synthesis (Most Important Application)

Neodymium Iodide is primarily used as a Lewis acid catalyst and organoneodymium reagent precursor in organic synthesis. It offers advantages in reactions requiring mild Lewis acidity and is particularly useful in carbon-carbon bond formation and polymerization reactions.

6.2. Laser Crystals and Optical Applications

6.3. Vacuum Systems and Thin Film Coatings

6.4. Nd-Fe-B Magnet Production

6.5. Research and Laboratory Applications

7. ALTERNATIVE / EQUIVALENT PRODUCTS

8. SECTOR SUITABILITY TABLE

9. COMMON NAMES

• Neodymium salt

• Light purple iodide crystal

• Nd-Fe-B precursor

• Laser dopant iodide

• Neodymium triiodide

• Rare earth iodide

10. PRODUCTION PROCESS

Reaction Equation:
Nd₂O₃ + 6HI → 2NdI₃ + 3H₂O
or
NdCl₃ + 3KI → NdI₃ + 3KCl

Production Types: Technical, high purity, and ultra-dry grades

Major Producing Countries: China, India, United States

Commercial Purity: Ranges from 99% to 99.999%

11. SAFETY AND TOXICOLOGY

SPECIAL WARNINGS: Neodymium Iodide causes skin irritation, serious eye irritation, and respiratory tract irritation . Due to its highly hygroscopic nature, it must be handled under inert atmosphere. Aqueous solutions may cause irritation upon skin and eye contact. Iodide salts may affect thyroid function with prolonged exposure. Not classified as a carcinogen.

12. TRANSPORT INFORMATION

Neodymium Iodide is classified as an environmentally hazardous substance under UN 3077. Release into the environment must be prevented during transport. Due to moisture sensitivity, shipping must be in sealed ampoules or airtight containers under inert atmosphere.

13. REGULATORY INFORMATION

Neodymium Iodide is registered in all major industrial markets. KKDİK registration is required for use in Turkey. It is classified under customs tariff code 2846.90.00.00.19.

14. STORAGE AND HANDLING

Handling Notes:

• CRITICAL: This compound is highly hygroscopic and must be handled under inert atmosphere

• Use a glove bag or dry box for all handling operations

• Use airtight, moisture-proof containers after opening

• Avoid skin and eye contact (use protective gloves and safety goggles)

• Avoid dust formation and inhalation

• Store under nitrogen or argon

• Use in well-ventilated areas or under fume hood

• Avoid exposure to moisture and air

15. FIRE-FIGHTING MEASURES

Neodymium Iodide is not a flammable substance. In case of fire, protective clothing and SCBA must be used. Thermal decomposition may release toxic iodine fumes and neodymium oxides.

16. ACCIDENTAL RELEASE MEASURES

In case of spillage, appropriate personal protective equipment must be worn. Handle under inert atmosphere to prevent decomposition. Clean up using dry methods. Environmental release must be prevented as it is classified as UN 3077.

17. FIRST AID MEASURES

Special Notes:

• Iodide salts may affect thyroid function with prolonged exposure

• Medical personnel should be informed about iodide salt exposure

• In case of ingestion, do not induce vomiting due to possible aspiration risk

18. RAW MATERIALS AND DOWNSTREAM PRODUCTS

18.1. Raw Materials (Upstream)

18.2. Downstream Products

19. QUALITY CONTROL PARAMETERS

20. SUMMARY AND CRITICAL WARNINGS

SUMMARY:

Neodymium Iodide (NdI₃, CAS 13813-24-6) is a light purple-pink, highly hygroscopic crystalline solid with a molecular weight of 520.83 g/mol. It has a density of approximately 5.5 g/cm³ and a melting point of ~782°C. The compound adopts a trigonal BiI₃-type crystal structure. It is soluble in water and polar organic solvents, making it valuable for various chemical applications. Neodymium Iodide is highly sensitive to air and moisture, decomposing upon exposure.

Its most important application is as a Lewis acid catalyst and organoneodymium reagent precursor in organic synthesis. It is also used as a laser crystal dopant in Nd:YAG and Nd:YLF systems, in optical glass production for refractive index adjustment, in vacuum coating systems as an evaporation source, and as a soluble neodymium source in specialized processes.

The compound is classified as an environmentally hazardous substance under UN 3077. It causes skin irritation, serious eye irritation, and respiratory tract irritation. Due to its extreme hygroscopicity, it must be handled and stored under inert atmosphere (nitrogen/argon) in airtight containers. Shelf life is limited due to moisture sensitivity. Iodide salts may affect thyroid function with prolonged exposure.

Key Properties:

Major Application Areas:

Key Safety Points:

• ENVIRONMENTALLY HAZARDOUS: UN 3077

• IRRITANT: Skin, eye, and respiratory tract irritation

• HIGHLY HYGROSCOPIC: Must be stored under inert atmosphere

• STORAGE: Inert atmosphere, airtight, cool, dry

• PROTECTIVE EQUIPMENT: Gloves, safety goggles, dust mask

• ECOTOXIC: Marine pollutant

CRITICAL WARNINGS:

1. HIGHLY HYGROSCOPIC: Neodymium Iodide is highly hygroscopic and must be handled under inert atmosphere. Containers must be opened only in dry environments and resealed immediately. Decomposition occurs upon moisture exposure, releasing iodine and forming oxyiodides.

2. UN 3077 CLASSIFICATION: Classified as an environmentally hazardous substance under UN 3077. Release into the environment during transport, storage, or disposal must be strictly prevented. It is listed as a marine pollutant.

3. LEWIS ACID AND CATALYTIC APPLICATIONS: Neodymium Iodide is a valuable Lewis acid catalyst and organoneodymium reagent precursor. Its reactivity with organolithiums enables selective transformations and carbon-carbon bond formation reactions.

4. IODIDE TOXICITY: Prolonged exposure to iodide salts may affect thyroid function. Appropriate safety measures must be followed to avoid inhalation, skin contact, and ingestion.

5. HANDLING UNDER INERT ATMOSPHERE: All handling operations must be performed under inert atmosphere (nitrogen or argon) using a glove bag or dry box. The compound is extremely sensitive to moisture and air.

6. CUSTOMS CLASSIFICATION: The correct customs tariff code is 2846.90.00.00.19. Correct classification is essential for international trade, with potential country-specific restrictions for rare earth compounds.

7. STORAGE SHELF LIFE: Due to extreme sensitivity to moisture, shelf life is limited. Ultra-dry grades with water content <0.1% are available for moisture-sensitive applications. Sealed ampoules under argon are recommended for long-term storage.

8. WASTE DISPOSAL: Dispose of contents and container in accordance with local, regional, national, and international regulations. Handle as hazardous waste due to environmental classification.

Important Disclaimer: This Technical Data Sheet (TDS) is for informational purposes only. The information provided is based on available data and is believed to be accurate. However, the user is solely responsible for determining the suitability of the product for their specific applications and for complying with all applicable regulations and safety requirements. For complete safety, handling, storage, and regulatory compliance information, always refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier. Users are responsible for testing the product in their own processes and applications. All local, national, and international regulations must be followed when working with Neodymium Iodide. Due to its extreme hygroscopicity and environmental classification, a detailed risk assessment and handling procedure must be established prior to use.