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Product Name: 2,5-Bis(1-Aziridinyl)-3-(2-Carbamoyloxy-1-Methoxyethyl)-6-Methyl-1,4-Benzoquinone
Chemical Family: Aziridine-based benzoquinone compound
Synonyms: 2,5-Bis(aziridinyl)-3-(carbamoyloxy-methoxyethyl)-6-methylbenzoquinone
CAS Number: 59-98-3
Recommended Use: Research applications, chemical synthesis, potential antineoplastic agent
Manufacturer/Supplier: Details on request for confidentiality
Emergency Contact: Local poison control center or emergency services
Classification: Acute toxicity (oral, inhalation, dermal); Eye irritant; Skin sensitizer
Signal Word: Danger
Hazard Statements: Harmful if swallowed, may cause respiratory irritation, suspected of causing genetic defects, causes serious eye irritation, may cause skin allergy
Pictograms: Skull and crossbones; Health hazard; Exclamation mark
Precautionary Statements: Wash skin thoroughly after handling, avoid breathing dust/fume/gas/mist/vapors/spray, wear protective clothing, use in well-ventilated area, avoid release to environment, do not eat, drink or smoke during handling, dispose only as per local regulations
Route of Exposure: Inhalation, ingestion, dermal contact, eye contact
Target Organs: Eyes, skin, respiratory system, gastrointestinal system
Chemical Name: 2,5-Bis(1-Aziridinyl)-3-(2-Carbamoyloxy-1-Methoxyethyl)-6-Methyl-1,4-Benzoquinone
CAS Number: 59-98-3
Concentration: 98%-100%
Impurities: Trace residuals from synthesis (unreacted aziridine, benzoquinone derivatives, methoxyethyl compounds)
Molecular Formula: C15H20N4O5
Molecular Weight: 336.34 g/mol
Inhalation: Move the person to fresh air, keep at rest in a position comfortable for breathing, monitor for respiratory distress, seek immediate medical attention for any breathing difficulty, persistent cough, or nasal irritation
Skin Contact: Remove contaminated clothing, rinse skin immediately with plenty of water and soap for a minimum of 15 minutes, call a physician if irritation or symptoms arise, launder clothing before reuse
Eye Contact: Rinse eyes slowly and gently with water for at least 15 minutes while holding eyelids open, remove contact lenses if present and easy to do, continue rinsing, seek medical help without delay
Ingestion: Rinse mouth with water, do not induce vomiting unless instructed by medical personnel, never provide anything by mouth to an unconscious person, seek immediate medical attention
Suitable Extinguishing Media: Water spray, dry chemical, foam, carbon dioxide
Specific Hazards: Decomposition under fire conditions can release toxic fumes (nitrogen oxides, carbon monoxide, carbon dioxide), risk of rapid combustion of powder due to fine particle size
Protective Equipment: Firefighters require self-contained breathing apparatus and full protective gear, cool containers with water spray even after fire is extinguished, prevent runoff from entering drains or watercourses
Firefighting Advice: Approach from upwind, remove containers from fire area if without risk, always keep a safe distance
Personal Precautions: Evacuate surrounding area, ensure adequate ventilation, avoid breathing dust or vapor, wear protective equipment (gloves, goggles, suitable mask, lab coat)
Environmental Measures: Prevent further leakage or spillage if safe to do so, do not let product enter drains or soil, inform relevant authorities if the product has caused environmental pollution (sewers, waterways, soil)
Cleanup Methods: Sweep up or vacuum material with equipment that avoids dust generation, collect in tightly-sealed containers for disposal, clean spill area thoroughly with soap and water, ventilate the area, dispose of cleanup materials according to local regulations
Handling: Work in chemical fume hood, avoid all unnecessary exposure, use protective equipment including gloves and eye protection, avoid generation of dust, wash thoroughly after handling, avoid ingestion and inhalation
Storage: Keep container tightly closed in a dry, cool, well-ventilated place away from incompatible materials (acids, bases, oxidizers), protect from heat, light, and moisture, store locked up or in chemical safety cabinet, label containers clearly, restrict access to trained personnel only
Exposure Limits: No occupational exposure limits established by OSHA, NIOSH, ACGIH (as of last update), treat as hazardous chemical
Engineering Controls: Use with local exhaust ventilation or in a chemical fume hood to minimize airborne concentrations, install eyewash stations and safety showers in work area
Personal Protective Equipment:
- Respiratory: NIOSH-approved respirator for dust/vapor if exposure risks exist
- Skin: Chemical-resistant gloves (nitrile, neoprene), lab coat or protective clothing
- Eye: Safety goggles, face shield if splash risk
- Hygiene: Wash hands and face after handling materials, remove contaminated clothing before leaving laboratory, avoid eating and drinking in work area
Appearance: Solid, powder, yellow-brown or amber
Odor: Weak, chemical odor
Odor Threshold: Not determined
pH: Not applicable (insoluble in water)
Melting Point/Range: Approximately 180-190°C (decomposes on heating)
Boiling Point: Not determined (decomposes before boiling)
Flash Point: Not available
Evaporation Rate: Not determined
Flammability: May combust as powder, handle with care due to dust
Vapor Pressure: Negligible at room temperature
Vapor Density: Not applicable
Solubility: Slightly soluble in DMSO, methanol, ethanol; insoluble in water
Partition Coefficient: Not determined
Decomposition Temperature: >180°C
Viscosity: Not applicable
Chemical Stability: Stable under recommended storage conditions, decomposes on heating
Reactivity: Slight hazard, non-reactive under normal conditions, may react strongly with oxidizers, acids, bases
Conditions to Avoid: Moist air, heat, open flames, direct sunlight, freezing, mechanical shock
Incompatible Materials: Strong oxidizing agents, strong acids and bases, reducing agents
Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, potentially reactive organic fragments
Polymerization: Does not polymerize under standard chemical conditions
Acute Toxicity: Harmful if ingested, inhaled, or absorbed through skin, data on LD50 (oral, rat) estimated at 10-100 mg/kg (based on related quinones and aziridines)
Chronic Effects: Prolonged or repeated exposure may damage organs, suspected carcinogen and mutagen based on structure activity relationship
Skin Sensitization: May cause allergic reactions after repeated contact, irritation, or redness
Eye Effects: Severe irritation, pain, tearing, redness
Inhalation Effects: Irritation to nose, throat, lungs; coughing, headache
Carcinogenicity: Evidence from quinone class and aziridine alkylators suggests possible carcinogenic risk, no direct IARC designation
Mutagenicity: DNA-reactive, should be handled as a potential mutagen
Other Data: No known reproductive toxicity data available, but class effects suggest caution, risk of cumulative toxicity from regular low-level exposure
Aquatic Toxicity: Harmful to aquatic organisms, risk of long-term adverse effects, avoid material runoff into surface water or drains
Persistence: Limited biodegradability, chemical expected to persist in soil and water due to stable benzoquinone core
Bioaccumulation: Unlikely due to reactivity but could concentrate in certain organisms, especially filter feeders
Ecotoxicity: Potential for dangerous effects on microorganisms, algae, daphnia, and fish; actual values not available, use relevant analogs for ecological risk assessment
Environmental Fate: May undergo slow environmental degradation, breakdown products potentially more mobile and toxic, volatilization not significant
Other Adverse Effects: Unknown ozone depletion or global warming potential, treat all waste carefully to avoid chronic exposures to non-target organisms
Waste Disposal: Treat as hazardous waste, do not flush down drains, incinerate in approved facility or dispose through licensed chemical waste contractor
Contaminated Packaging: Triple-rinse containers, then forward to hazardous waste stream as per local, state, and federal regulations
Special Instructions: Keep records of disposal and destruction, do not allow release to environment, consult local hazardous waste authorities for guidance, transport waste using proper labeling and documentation, avoid mixing with general trash
UN Number: UN2811 or assigned based on current chemical transport guidelines
Proper Shipping Name: Toxic solid, organic, n.o.s. (contains benzoquinone derivative)
Hazard Class: 6.1 (Toxic Substance)
Packing Group: II–III depending on packaging and concentration
Labeling: Toxic, environmental hazard
Specific Transport Precautions: Secure tightly in leak-proof containers, separate from food and feedstuffs, do not transport with incompatible substances, ensure documentation and labeling are up to current regulations, train personnel in emergency response
Marine Pollutant: Yes, avoid spills during handling and shipping near water bodies
TSCA: Listed or subject to reporting under Section 8(b)
REACH: Registration status depends on tonnage produced/imported, consult EU guidance for specifics
OSHA: Handle as hazardous substance under laboratory safety standards
SARA 313: Not listed but includes chemical hazards relevant to workplace safety
California Proposition 65: This substance may contain or produce chemicals known to the state of California to cause cancer, birth defects, or other reproductive harm
WHMIS Classification (Canada): D1A (Very Toxic), D2A (Very Toxic Effects), D2B (Irritant)
Labeling Requirements: Clear hazard communication, inclusion of hazard and precautionary statements on all primary and secondary containers
Other International Regulations: Comply with local, national, and international rules for handling, storage, and disposal, provide safety data sheets to downstream users
