MSDS for (2R*,3S*)-2-(2,4-Difluorophenyl)-3-(5-Fluoro-4-Pyrimidinyl)-1-(1H-1,2,4-Triazol-1-Yl)Butan-2-Ol (1R)-10-Camphorsulfonate

Identification

Product Name: (2R*,3S*)-2-(2,4-Difluorophenyl)-3-(5-Fluoro-4-Pyrimidinyl)-1-(1H-1,2,4-Triazol-1-yl)butan-2-ol (1R)-10-camphorsulfonate
Chemical Family: Triazole derivative, fluorinated pyrimidine and phenyl compounds, camphorsulfonate salt
Synonyms: Not listed
Recommended Use: Research, pharmaceutical intermediate
Supplier Details: Contact supplier for emergency information
Emergency Phone Number: Refer to company safety officer or local emergency response center

Hazard Identification

GHS Classification: Acute toxicity (oral, inhalation), specific target organ toxicity, eye and skin irritation suspected
Label Elements: Hazard pictograms: Skull and crossbones, exclamation mark, health hazard
Signal Word: Danger
Hazard Statements: May cause respiratory irritation, suspected of causing genetic defects, harmful if swallowed, causes serious eye damage, may cause damage to organs through prolonged or repeated exposure
Precautionary Statements: Do not handle without proper training, avoid breathing dust or vapors, wash hands thoroughly after handling, use only outdoors or in well-ventilated areas, wear protective gloves, protective clothing, eye and face protection, do not eat, drink, or smoke when using this product

Composition / Information on Ingredients

Chemical Identity: (2R*,3S*)-2-(2,4-Difluorophenyl)-3-(5-Fluoro-4-Pyrimidinyl)-1-(1H-1,2,4-Triazol-1-yl)butan-2-ol (1R)-10-camphorsulfonate
CAS Number: Not assigned
Impurities/Stabilizers: Trace organic solvents (acetonitrile, DCM), possible residual reactants
Concentration: Pure compound (greater than 97%)
Other Components: Minor process byproducts, not listed as hazardous at used concentrations

First Aid Measures

Inhalation: Move to fresh air, keep at rest in a position comfortable for breathing, seek medical attention if respiratory symptoms occur, provide oxygen if difficult breathing
Skin Contact: Remove contaminated clothing immediately, rinse skin with plenty of water for at least 15 minutes, seek medical care for irritation
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy to do, continue rinsing, seek prompt medical attention for redness, pain, or vision changes
Ingestion: Rinse mouth with plenty of water, never give anything by mouth to an unconscious person, call a physician or poison control center, do not induce vomiting unless directed by medical personnel

Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, dry chemical, foam, carbon dioxide
Unsuitable Extinguishing Media: Strong water jet may spread material
Specific Hazards: Emits toxic fumes of nitrogen oxides, sulfur oxides, hydrofluoric acid, carbon oxides under fire conditions, possible explosive decomposition at high temperatures
Protective Equipment: Firefighters should wear self-contained breathing apparatus, chemical resistant suit, and avoid inhaling combustion products
Further Advice: Fight fire from a safe distance, prevent runoff from entering drains and waterways

Accidental Release Measures

Personal Precautions: Evacuate personnel to safe areas, ventilate area, avoid dust formation, do not breathe vapors/dust
Environmental Precautions: Prevent further leakage or spillage if safe to do so, avoid release into environment, do not let product enter sewers or waterways
Spill Cleanup Methods: Absorb with earth, sand, or inert materials; collect and place in suitable, sealed chemical waste container for disposal according to local regulations; wash spill site with soap and water after material pickup
Decontamination Procedures: Clean all contaminated surfaces with detergent and proper PPE, ventilate area until completely dry, dispose of all cleaning materials as chemical waste

Handling and Storage

Safe Handling: Use with adequate local exhaust ventilation, avoid contact with eyes, skin, clothing, or mucous membranes, wash hands and face thoroughly after handling, do not inhale dust or vapors, use only in well-ventilated space, avoid eating, drinking, or smoking during use
Storage Conditions: Store in tightly closed container, keep in cool, dry, well-ventilated place, protect from light, keep away from incompatible substances (strong oxidizers, strong acids or bases), label containers clearly, restrict access to trained personnel
Incompatibilities: May react with strong oxidizing agents, strong acids, or bases, segregate from foodstuffs in storage

Exposure Controls and Personal Protection

Engineering Controls: Fume hood, local exhaust ventilation, air filtration to avoid dust accumulation, closed system processes for large scale use
PPE - Respiratory Protection: Suitable NIOSH-approved respirator for dust or vapor, chemical cartridge respirator as necessary
PPE - Skin Protection: Nitrile or neoprene gloves, chemical resistant lab coat or coveralls, closed-toe shoes
PPE - Eye/Face Protection: Chemical splash goggles, face shield when handling large volumes or risk of splashing exists
Hygiene Measures: Wash contaminated skin immediately, no eating or drinking in work area, remove PPE before leaving lab, regular medical surveillance for those handling frequently

Physical and Chemical Properties

Appearance: White to off-white crystalline solid or powder
Odor: Mild, characteristic odor
Odor Threshold: Not established
pH: Not determined
Melting Point/Freezing Point: Estimated between 180-210°C
Boiling Point/Range: Decomposes before boiling
Flash Point: Not determined; likely greater than 150°C
Evaporation Rate: Not applicable
Flammability: May combust at high temperatures
Vapor Pressure: Not available; negligible at room temperature
Relative Density: Estimated 1.3–1.5 g/cm³
Solubility: Slightly soluble in water, soluble in DMSO, methanol, ethanol
Partition Coefficient (n-octanol/water): Not determined
Auto-Ignition Temperature: Not available
Decomposition Temperature: Begins above 180°C
Viscosity: Not applicable

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions, degrades with heat and moisture exposure
Possibility of Hazardous Reactions: Reacts with strong oxidizers, acids can lead to breakdown, incompatible with strong bases
Conditions to Avoid: Heat, direct sunlight, high humidity, open flames, sources of ignition
Incompatible Materials: Strong acids, strong bases, oxidizing agents, reducing agents
Hazardous Decomposition Products: Fluorine-containing gases, sulfur oxides, nitrogen oxides, carbon monoxide, carbon dioxide

Toxicological Information

Acute Toxicity: Harmful if swallowed, inhaled, or absorbed through the skin; estimated oral rat LD50 100-300 mg/kg
Skin Corrosion/Irritation: Causes skin irritation on direct contact; prolonged or repeated exposure may result in dermatitis
Eye Damage/Irritation: May cause serious eye irritation or damage; symptoms can include redness, pain, vision blurring
Respiratory Sensitization: May cause respiratory tract irritation, coughing, and shortness of breath when inhaled
Carcinogenicity: Not listed as carcinogenic by NTP, IARC, or OSHA, but fluorinated aromatic systems may act as long-term health risk with chronic exposure
Reproductive Toxicity: Not fully evaluated; use caution and follow standard reproductive hazard safety practices
Target Organ Effects: Prolonged or high-level exposures may affect liver, kidneys, and central nervous system
Other Data: Limited data available; effects may be more severe in those with pre-existing conditions or allergies

Ecological Information

Ecotoxicity: No comprehensive data; possible risk to aquatic life due to persistence and bioaccumulative potential from organic fluorinated structure
Persistence and Degradability: Contains stable fluorinated moieties, low biodegradability expected, can persist in soil and water
Bioaccumulative Potential: Likely to bioaccumulate in aquatic organisms due to lipophilic character
Mobility in Soil: Moderately mobile, risk of leaching into groundwater if spilled in significant quantities
Other Adverse Effects: Avoid uncontrolled discharge into environment to minimize soil and water contamination, potential toxicity to beneficial soil or water microorganisms

Disposal Considerations

Waste Treatment Methods: Incinerate in accordance with local, state, and federal regulations; do not dispose of with general waste
Product Disposal: Dispose of via licensed chemical waste disposal contractor, provide full compound identity and hazards
Contaminated Packaging: Dispose of containers as hazardous waste, triple rinse, never reuse for storage of food or water
Special Precautions: Label waste clearly, use sealed transport, document all disposal proceedings for local compliance

Transport Information

UN Number: Not allocated
Proper Shipping Name: Not classified for transport under standard regulations
Transport Hazard Class: Not classified under DOT/ADR/IMDG/IATA
Packing Group: Not assigned
Marine Pollutant: Not specifically listed, but ecological risk suggests precautions; avoid spill to water bodies
Special Precautions: Keep sealed and secure during transit, transport by trained personnel with proper safety documentation, do not ship with foodstuffs or consumables, protect from moisture and excessive heat

Regulatory Information

OSHA Status: Hazardous chemical, general industry standards for toxic chemicals apply
TSCA Status: Not listed on US TSCA Inventory
SARA/Title III: Not subject to Section 302, 304, or 313 reporting, but handle as toxic substance per Section 311/312
EU Regulation (REACH): Substance not registered, handle according to General Chemical Regulations (EC 1907/2006)
WHMIS Classification (Canada): Classified as toxic, eye and skin irritant
Other National/State Regulations: Subject to state chemical handling and disposal codes; researcher or user must confirm compliance at local level for import, usage, and disposal activities