Material Safety Data Sheet (MSDS): N-T-Boc-Pyrrole

Identification

Product Name: N-Tert-Butoxycarbonyl-Pyrrole (N-T-Boc-Pyrrole)
Chemical Formula: C9H13NO2
CAS Number: 3140-89-6
Synonyms: 1-(tert-Butoxycarbonyl)pyrrole, Boc-pyrrole
Recommended Use: Intermediate in organic synthesis, pharmaceutical research, fine chemicals manufacturing
Manufacturer: Information supplied by supplier or distributor
Emergency Phone: Number available on supplier packaging

Hazard Identification

Hazard Classification: Flammable liquid, skin and eye irritant
Signal Word: Warning
Hazard Statements: Causes skin and eye irritation; combustible liquid; may cause respiratory irritation upon inhalation; harmful if swallowed
Precautionary Statements: Keep away from heat, sparks, open flames; use only in well-ventilated area; wear protective gloves, clothing, and eye protection
Symptoms: Burning in eyes or throat, coughing, shortness of breath, redness or dryness on skin
GHS Pictograms: Flame, exclamation mark

Composition / Information on Ingredients

Chemical Name: N-T-Boc-Pyrrole
CAS Number: 3140-89-6
Concentration: Greater than 98% purity by weight
Impurities: Trace organic solvents, residual pyrrole or Boc anhydride, less than 1% combined
Stabilizing Additives: None present

First Aid Measures

Inhalation: Move person to fresh air; provide oxygen if breathing becomes difficult; seek medical attention for persistent symptoms
Skin Contact: Wash area with abundant soap and water; remove contaminated clothing; consult a physician if irritation develops
Eye Contact: Flush eyes with plenty of water for at least 15 minutes, holding eyelids open; get medical attention without delay
Ingestion: Rinse mouth with water; do not induce vomiting; call poison control center or medical provider immediately for symptoms
Notes for Physicians: Treat symptoms, monitor for respiratory distress, and provide supportive care as required

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, carbon dioxide, alcohol-resistant foam
Unsuitable Media: Direct water jet may spread material
Fire Hazards: Vapors can ignite; may generate toxic gases under fire conditions; containers may rupture from heat
Special Protective Equipment: Full firefighting gear with self-contained breathing apparatus required
Special Procedures: Cool containers with water from a safe distance; control runoff to prevent environmental contamination

Accidental Release Measures

Personal Precautions: Evacuate non-essential personnel; avoid breathing dust or vapors; wear gloves, eye protection, and respirator if necessary
Environmental Precautions: Keep out of drains and surface water; prevent spillage from entering soil
Containment Methods: Use inert absorbent material, such as sand or vermiculite, to contain spill
Cleanup Methods: Collect in suitable containers for disposal under local regulations; ventilate area; wash spill site after material removal

Handling and Storage

Handling: Handle in chemical fume hood or ventilated area; avoid smoking, sparks, or open flames in work area; use non-sparking tools
Storage: Store in tightly sealed container, cool and dry place; keep away from strong acids, oxidizing agents, direct sunlight; label containers properly and check regularly for deterioration
Incompatibilities: Oxidizing agents, strong acids, moisture-sensitive chemicals may react; segregate from food and drink
General Hygiene: Do not eat, drink, or smoke while handling; wash hands after handling

Exposure Controls and Personal Protection

Exposure Limits: Not established for N-T-Boc-Pyrrole; follow exposure limits for nuisance dust or similar organics if applicable
Engineering Controls: Ensure good general ventilation or use local exhaust system; eye-wash stations and safety showers in close proximity
Personal Protective Equipment: Nitrile gloves, chemical safety goggles, flame-resistant lab coat
Respiratory Protection: Use NIOSH/MSHA-approved respirator if ventilation is inadequate
Hygiene Measures: Change contaminated clothing; clean protective equipment after use

Physical and Chemical Properties

Physical State: Liquid or low-melting solid depending on ambient temperature
Appearance: Pale yellow to colorless
Odor: Mild, aromatic
Boiling Point: 130–135°C under reduced pressure
Melting Point: 35–38°C
Flash Point: About 67°C (closed cup)
Solubility: Insoluble in water; soluble in ethanol, ether, acetone, dichloromethane
Vapor Pressure: Low at room temperature
Density: 1.06 g/cm³ at 20°C
pH (at 20°C): Not applicable; organic compound
Partition Coefficient: log Pow (estimate) 1.5–2.0

Stability and Reactivity

Chemical Stability: Stable under recommended handling and storage conditions
Reactivity: Reacts with acids and oxidizing agents; avoid sources of ignition
Hazardous Reactions: May release irritant fumes including carbon oxides and nitrogen oxides during decomposition
Conditions to Avoid: High humidity, extreme heat, direct sunlight
Incompatible Materials: Strong oxidants, acids, moisture
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides, other undetermined organic vapors

Toxicological Information

Likely Routes of Exposure: Skin contact, inhalation, ingestion, eye contact
Acute Effects: Skin or eye irritation, respiratory discomfort
Chronic Effects: No long-term studies on this compound; long-term handling may increase sensitivity to skin or cause respiratory symptoms for sensitive individuals
Oral Toxicity: Not thoroughly tested; avoid all ingestion
Inhalation Toxicity: Irritation of airway possible; data limited
Dermal Toxicity: Slight irritation possible from prolonged exposure
Carcinogenicity: Not listed as carcinogen by IARC, NTP, OSHA
Mutagenicity / Teratogenicity: No data available
Symptoms of Overexposure: Headache, nausea, dry throat, red skin, or watery eyes

Ecological Information

Ecotoxicity: No direct data, but organic chemicals of similar structure may harm aquatic life in high concentrations
Mobility: Likely to bind to soil; low water solubility reduces leaching risk
Persistence and Degradability: Can degrade slowly under aerobic conditions; may persist in soil or sediment
Bioaccumulation Potential: Moderate for similar compounds; possibility of accumulation in aquatic organisms
Aquatic Toxicity: Avoid discharge into natural water bodies to reduce ecosystem harm

Disposal Considerations

Waste Disposal: Dispose by incineration at facility with proper chemical waste handling; follow local hazardous waste rules
Contaminated Packaging: Empty containers may retain product residues; treat as hazardous waste and avoid landfill; rinse with approved solvent before disposal
Special Considerations: Do not pour down drain or landfill; avoid common waste streams; keep records for regulatory reporting

Transport Information

UN Number: Not assigned for most shipments; check with carrier
Proper Shipping Name: Organic Liquid, N.O.S. (not otherwise specified); N-T-Boc-Pyrrole
Hazard Class: 3 (flammable liquid) if applicable due to flash point
Packing Group: III (if shipped as flammable liquid based on volume and concentration)
Labels Required: Flammable liquid label if over required quantities
Special Precautions: Secure container well, shield from sunlight, avoid rough handling in transit

Regulatory Information

TSCA Inventory: Compound typically requires listing if used in commerce in the US
OSHA Status: Not specifically regulated, general chemical precautions apply
SARA 313: Not subject to reporting
REACH Registration (EU): Check current status with supplier; may require notification above certain tonnages
WHMIS (Canada): Flammable, irritant
Other Regulations: Many countries apply chemical inventory laws and workplace safety rules; individual facilities should ensure compliance for country-specific chemical handling, labeling, reporting, and emergency preparedness