Product Name: 1-Tert-Butyloxycarbonyl-4,4-Difluoropiperidine
Chemical Formula: C10H17F2NO2
CAS Number: [1068778-41-7]
Recommended Use: Organic synthesis, chemical research
Supplier: Laboratory supply company info (address, phone number, contact email)
Emergency Phone: 24-hour emergency response number from supplier
Synonyms: 4,4-Difluoro-1-Boc-piperidine, Boc-4,4-difluoropiperidine
Relevant Identified Uses: Intermediate for pharmaceuticals and fine chemicals
GHS Status: Flammable liquid, health hazard category 3
Signal Word: Warning
Hazard Statements: Causes eye irritation; may damage fertility; harmful if inhaled or swallowed; causes skin irritation; flammable
Pictograms: Health hazard, exclamation mark, flame
Precautionary Statements: Use gloves and goggles; avoid breathing dust or vapor; use only in well-ventilated area
HMIS Code: Health: 2, Flammability: 2, Reactivity: 0
Health Effects: Exposure can lead to dizziness, coughing, skin redness, persistent eye discomfort, nausea, and headaches; dust or vapor may aggravate respiratory conditions
Chemical Name: 1-Tert-Butyloxycarbonyl-4,4-Difluoropiperidine
Concentration: ≥98.0%
Impurities: Other related organic compounds: ≤2.0%
Additives: None
EC No.: Not assigned
Molecular Weight: 221.25 g/mol
Description: Solid crystalline powder, white to off-white
Relevant Exposure Limits: Not established at regulatory level for this substance
Inhalation: Move affected person to fresh air, keep at rest, seek medical advice if symptoms continue
Skin Contact: Remove contaminated clothing, wash skin thoroughly using mild soap and water, get medical help for irritation
Eye Contact: Rinse cautiously with clean water for several minutes, hold lids apart, remove contact lenses if present and easy, continue rinsing, seek medical attention
Ingestion: Rinse mouth, drink water, do not induce vomiting, call physician for further instruction
Symptoms: Eye redness, breathing difficulty, rash, coughing
Notes to Doctor: Provide symptomatic treatment, monitor for possible sensitization and chemical pneumonitis
Suitable Extinguishing Media: Dry chemical powder, carbon dioxide, alcohol-resistant foam
Unsuitable Media: Direct water stream can spread chemical
Hazards from Combustion Products: Carbon oxides, nitrogen oxides, hydrogen fluoride, possibly irritating organic vapors
Special Equipment: Firefighters use approved self-contained breathing apparatus and chemically resistant protective clothing
Specific Methods: Exclude unnecessary personnel, fight fire from a safe distance, cool containers exposed to fire with water spray
Explosion Sensitivity: No reported risk of dust explosions under normal handling
Other Hazards: May produce toxic vapors under thermal decomposition, floor surfaces may become slippery
Personal Precautions: Wear gloves, goggles, lab coat, and respirator when needed
Environmental Precautions: Avoid release to drain, sewers, or watercourses, contain spillage for proper disposal
Methods for Cleaning Up: Collect powder using scoop and inert absorbent, shovel into labeled waste container
Decontamination: Wash affected area with detergent and water, ventilate space, remove contaminated materials
Disposal: Place swept materials and cleaning debris in closed chemical waste container for disposal by licensed handler
Other Considerations: Prevent dust formation during cleanup, isolate spill from incompatible materials, report large or uncontrolled spills to relevant authority
Handling: Open containers with care in a chemical fume hood, use local exhaust if handling large quantities, minimize dust and vapor generation
Avoid: Contact with incompatible materials, inhalation, skin and eye contact, and buildup of static
Hygiene Measures: Wash thoroughly after handling, keep away from food and drinks, wear laundered clothes
Storage: Store in tightly closed original container, keep in dry, cool, and well-ventilated location
Recommended Temperature: 2–8°C (refrigeration)
Incompatibilities: Strong oxidizers, acids, bases that may react with carbamate groups
Segregation: Keep away from incompatible chemicals and sources of ignition, secure containers to prevent tipping
Engineering Controls: Work in a fume hood, use local exhaust ventilation, and safety showers
Eye/Face Protection: Safety goggles or face shield
Skin Protection: Chemical-resistant gloves (nitrile or neoprene), long-sleeved lab coat
Respiratory Protection: Half-mask respirator with organic vapor cartridge for dusty or poorly ventilated work
Hand Protection: Replace gloves after direct contact or splash
Workplace Monitoring: Set up routine air testing for dusts and vapors, particularly during scale-up
Other Protective Measures: Emergency eyewash and safety shower accessible, no eating, drinking, or smoking in work area
Appearance: Crystalline solid, white to off-white
Odor: Faint, mildly sweet or no significant odor
Odor Threshold: Not available
pH: Not applicable (solid)
Melting Point/Freezing Point: 66–70°C
Boiling Point: Decomposes before boiling
Flash Point: 62°C (closed cup, estimated)
Flammability: Not highly flammable but combustible
Upper/Lower Flammability or Explosive Limits: Not determined
Vapor Pressure: Negligible at room temperature
Vapor Density: Not determined
Relative Density: ca. 1.15 g/cm³
Solubility: Slightly soluble in water, good solubility in common organic solvents
Partition Coefficient: log Kow not determined
Autoignition Temperature: Not measured
Decomposition Temperature: >150°C, may release hazardous gases
Viscosity: Not applicable for solid
Evaporation Rate: Not applicable
Molecular Structure: Six-membered piperidine ring, two fluorine atoms at 4-position, tert-butoxycarbonyl protecting group at N-1
Chemical Stability: Stable under recommended storage conditions
Incompatible Materials: Strong acids and bases, oxidizers, may react with electrophilic substances
Conditions to Avoid: High temperatures, direct sunlight, open flame, moisture
Hazardous Reactions: Unlikely under normal storage and use, possible hydrolysis of carbamate group
Hazardous Decomposition Products: Toxic fumes including hydrogen fluoride, carbon oxides, nitrogen oxides
Polymerization: No data indicating risk of hazardous polymerization
Other Information: Keep container dry and well-sealed, do not handle near incompatible chemicals or oxidizers
Acute Toxicity: Data not fully available; estimated LD50 (rat, oral) >2000 mg/kg
Effects of Short-Term Exposure: Mild irritation to eyes, skin, mucous membranes; ingestion may cause gastrointestinal disturbance
Effects of Long-Term Exposure: May cause sensitization, chronic skin dryness, possible reproductive toxicity from component reactivity
Carcinogenicity: Not listed as carcinogen by NTP, IARC, OSHA
Mutagenicity: No evidence in available literature
Specific Target Organ Toxicity: No clear data, but may irritate airways and skin
Other Health Effects: Inhaled dust or vapor can intensify pre-existing respiratory conditions; long-term or repeated impact has not been sufficiently studied in humans
Aquatic Toxicity: No measured data for fish, crustaceans, or algae; use caution to prevent environmental release
Persistence and Degradability: Likely to persist in soil and water due to fluorine content; hydrolysis slow
Bioaccumulation: Not expected to bioaccumulate significantly
Mobility in Soil: Chemical expected to adsorb to soil particles, low mobility
Other Ecotoxic Effects: Potential for long-term hazard in watercourses if released, fluoride ions may impact sensitive species
Precautions: Collect and dispose of all waste, prevent entry into water systems or public drains
Special Notes: Avoid pouring rinse waters into environment, especially in facilities near natural waterways
Recommended Disposal Method: Incinerate in approved chemical waste facility, following all local and national regulations
Container Disposal: Triple rinse empty containers, remove or deface labels, send for chemical waste management
Sewage Disposal: Do not empty into drains, sewers, or surface water
Recycling: Not suitable for recycling due to toxicity
Precautions: Wear suitable protective equipment, handle residues with care, keep all waste segregated
SDS Reference: Follow site waste management and handling procedures
UN Number: Not classified under current UN Dangerous Goods list
Transport Hazard Class: Not considered dangerous for road, air, or sea transport in small quantities
Packing Group: Not assigned
Labeling: None required under GHS for this specific substance; confirm before shipment
Special Precautions: Ship in well-sealed package, prevent accidental breakage during handling
Marine Pollutant: Not labeled, but caution recommended to avoid environmental contamination
Other Info: Ensure documents include emergency contact and handling instructions in shipment
California Proposition 65: Substance not listed
TSCA Status: Not listed by U.S. EPA under TSCA Inventory
REACH Status: Exempt or not registered (check local status in Europe before import/export)
OSHA Hazard Classification: Considered hazardous due to skin and eye irritancy
EINECS/ELINCS: Not assigned
Other Global Inventories: Australia (AICS): Not listed; China (IECSC): Not listed; Canada (DSL/NDSL): Not listed
Labelling: Use precautionary pictograms and hazard warnings as specified above on all workplace labels
Safety Assessment: Completion of chemical safety assessment required for industrial use in some jurisdictions
Employer Requirements: Maintain up-to-date Safety Data Sheet, provide staff training, ensure immediate access to emergency procedures
