Product Name: 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propanol
Chemical Formula: C24H26Cl2F3NO
Synonyms: None documented
Recommended Use: Laboratory chemical, research, and industrial manufacturing
Manufacturer: Refer to direct supplier
Emergency Contact: Local poison control center or emergency services
CAS Number: Not officially assigned
UN Number: Unassigned for this specific compound
Product Code: Internal or batch-specific as referenced by supplier
GHS Classification: Acute toxicity (oral, dermal, inhalation), skin/eye irritation, environmental hazard
Pictograms: Skull and crossbones, exclamation mark, environment
Signal Word: Danger
Hazard Statements: Toxic if swallowed, causes skin irritation, causes serious eye damage, may cause damage to organs, toxic to aquatic life with long-lasting effects
Precautionary Statements: Avoid exposure, wear proper PPE, avoid release to environment, wash hands thoroughly after handling, seek medical attention for any contact or ingestion
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Most Important Symptoms: Respiratory irritation, skin burns, nausea, vomiting, eye pain, abdominal pain
Target Organs: Liver, kidneys, nervous system, skin, eyes
Chemical Identity: 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propanol
Concentration: ≥98% (analytical grade, reagent)
Impurities: Trace organics, inorganic salts (≤2%) depending on synthesis process
Stabilizers: None added to raw material
Other Ingredients: No solvents or carriers in pure product; for solutions, refer to accompanying documentation
General: Move affected individual to fresh air, remove contaminated clothing, avoid direct contact
Inhalation: Remove to fresh air, provide oxygen if needed, seek medical help
Skin Contact: Flush skin with water for at least 20 minutes, remove contaminated clothing, do not apply neutralizing chemicals, obtain medical attention
Eye Contact: Immediately rinse eyes with copious water for 20 minutes, keep eyelids open, obtain emergency eye specialist review
Ingestion: Rinse mouth with water, do not induce vomiting, seek immediate emergency medical care
Symptoms Requiring Immediate Attention: Shortness of breath, persistent burning, altered mental status, convulsions
Notes for Physicians: Symptomatic and supportive treatment, monitor hepatic and renal function closely, administer activated charcoal if indicated and unprotected airway is not a concern
Suitable Extinguishing Media: Dry chemical, CO2, foam, water spray
Unsuitable Extinguishing Media: Direct water jet (can spread chemicals)
Fire Hazards: Emits highly toxic fumes under fire conditions (HCl, CO, NOx, HF)
Special Protective Equipment: Self-contained breathing apparatus, full protective clothing
Firefighting Instructions: Approach from upwind, use remote extinguishing methods, isolate area, cool containers with water spray
Combustion Products: Hydrogen chloride, phosgene, oxides of nitrogen, carbon monoxide, hydrogen fluoride, hydrocarbon fragments
Personal Precautions: Evacuate nonessential personnel, ventilate area, avoid inhalation and skin/eye contact, use chemical splash goggles, impervious gloves, and respirator with organic vapor/acid gas cartridge
Environmental Precautions: Prevent materials from entering drains, sewers, watercourses or soil
Spill Cleanup Methods: Absorb spill with inert material (sand, earth, vermiculite), collect and place in marked container for disposal, decontaminate area with detergent and copious water
Containment Procedures: Dike spill area with inert absorbent, prevent further leakage
Decontamination: Flush area with plenty of water, avoid unprotected exposure during cleaning
Handling Precautions: Use only in well-ventilated chemical fume hood, avoid formation of dust or aerosols, minimize direct handling, wear standard chemical PPE
Storage Requirements: Store in tightly closed container, in cool, dry, well-ventilated location, away from strong acids, bases, oxidizers, and direct sunlight
Incompatible Materials: Strong acids, bases, oxidizers, heat sources, moisture
Hygiene Measures: Do not eat, drink, or smoke while handling, wash hands and face before breaks and after work, keep work clothing separate
Engineering Controls: Fume hood mandatory; safety shower and eyewash station recommended nearby
Occupational Exposure Limits: No established US OSHA, ACGIH, or EU limits; handle as highly toxic by analogy to similar compounds
Respiratory Protection: NIOSH-approved half or full-face respirator with organic vapor/acid gas filters in case of aerosol/dust formation
Skin Protection: Chemical-resistant gloves (nitrile or neoprene), lab coat, chemical apron
Eye/Face Protection: Tight-fitting chemical splash goggles and face shield
Engineering Controls: Fume hood for all handling steps, sealed systems for large-scale use
Environmental Controls: Prevent discharge to surface water or drains, use closed transfer processes where feasible
Appearance: Pale yellow to white crystalline powder
Odor: Mild aromatic or phenanthrene-like
pH: (solution) Weakly basic
Melting Point: 128 – 132 °C (based on analogs and calculated)
Boiling Point: Decomposes on heat without boiling
Flash Point: >150 °C (estimated)
Auto-Ignition Temperature: Not determined
Vapor Pressure: Low at 20 °C
Vapor Density: Not measured
Solubility: Low in water, high in most organic solvents (methanol, DMSO, dichloromethane)
Partition Coefficient (log Kow): High (estimated 4.5 – 6, very lipophilic)
Decomposition Temperature: Above 130 °C
Viscosity: Not applicable (solid form)
Chemical Stability: Stable under recommended storage conditions, decomposes on heating, light, exposure to acids and alkalis
Reactivity: Reacts vigorously with strong oxidizers and acids producing toxic gases
Hazardous Reactions: Hazardous polymerization, hydrolysis producing hazardous degradation products
Conditions to Avoid: Moisture, direct sunlight, elevated temperatures, incompatible materials
Decomposition Products: Hydrogen chloride, carbon monoxide, nitrogen oxides, hydrogen fluoride, phosgene gas, halogenated organics
Shelf Life: Two years in original sealed container under proper conditions
Likely Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Acute Toxicity: Oral LD50 (rat): Estimated 50–250 mg/kg, based on similar phenanthrene derivatives
Dermal Toxicity: Causes moderate to severe skin irritation, possible systemic absorption
Eye Damage: Risk of permanent eye injury
Respiratory Irritation: Produces coughing, choking, shortness of breath on inhalation
Chronic Effects: Repeated exposure may lead to liver and kidney damage, possible nervous system involvement
Carcinogenicity: Not classified by NTP, IARC, OSHA; some phenanthrene derivatives are animal carcinogens
Reproductive Toxicity: Possible, based on structural similarity to bioactive aromatics
Mutagenicity: Data unavailable, handle as a mutagen through best practice
Symptoms of Overexposure: Headache, rash, nausea, dizziness, organ failure
Ecotoxicity: Very toxic to aquatic organisms, long-term adverse effects in the aquatic environment due to halogenated and trifluoromethyl substitution
Persistence and Degradability: Highly persistent, does not degrade easily, potential for long-range transport
Bioaccumulation Potential: Substantial, evidenced by high log Kow and structural similarity to other persistent organics
Mobility in Soil: Low solubility and high binding to soil/sediment particles
Other Adverse Effects: Releases halogenated breakdown products, contributing to ozone depletion/toxicity concerns
Waste Disposal Methods: Collect in clearly labelled hazardous waste containers, hand over to licensed hazardous waste disposal contractor
Appropriate Disposal: Incineration in chemical incinerator with afterburner and scrubber
Do Not: Discharge into drains, waterways, or general refuse
Contaminated Packaging: Dispose as chemical waste after triple rinsing and defacing labels
Additional Guidance: Follow all local, regional, and national regulations; keep proper documentation of disposal method and receiving facility
UN Number: Not specifically assigned
Proper Shipping Name: Toxic solid, organic, n.o.s. (contains 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propanol)
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: II (medium hazard)
Marine Pollutant: Yes, based on composition
Special Precautions: Protect from physical damage, avoid exposure to moisture, segregate from strong oxidizers and foodstuffs
Labels: Toxic, Marine Pollutant
Regulatory Status: Not specifically listed under TSCA, REACH, or other major inventories due to novelty; components regulated under hazardous substance laws
SARA/OSHA Classification: Acute toxic, hazardous under criteria
CEPA Status (Canada): Not listed
DSL/NDSL: Not listed
California Proposition 65: Not listed, but use with caution
EINECS/ELINCS: Not assigned
Specific Local Regulations: Users should reference chemical control lists and workplace safety standards for relevant jurisdiction
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