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Product Name: 5-[(Bis(2-Chloroethyl)Amino]-2,4-(1H,3H)Pyrimidinedione
Chemical Formula: C8H11Cl2N3O2
Synonyms: Commonly recognized as a derivative of nitrogen mustard-related compounds
CAS Number: 57-57-8
Recommended Use: Laboratory research, pharmaceutical intermediate, reference standard material
Supplier Information: Lab safety division of your trusted chemical supplier, phone and address listed on container
Emergency Contact: Local poison control, supplier emergency hotline, fire department
Relevant Restrictions: Handling only under supervision by trained personnel within designated chemical safety facilities
Classification: Acute toxicity, Category 2 (oral, dermal, inhalation); Skin corrosion; Eye damage; Carcinogenicity, Germ cell mutagenicity, Organ toxicity, Environmental hazard
Label Elements: Danger signal word, skull & crossbones pictogram, corrosion pictogram
Hazard Statements: Poisonous if inhaled, swallowed, or absorbed through skin; may cause cancer by inhalation or skin absorption; exposure can cause severe skin, eye, and respiratory burns; organ damage possible, especially bone marrow suppression, lymphatic toxicity, liver and kidney impairment
Precautionary Statements: Full personal protective equipment during handling; avoid all direct contact and inhalation; no eating, drinking, or smoking in area; immediate washing after handling
Other Hazards: Reacts strongly with acids and oxidizers, rapidly absorbed through unbroken skin
Chemical Name: 5-[(Bis(2-Chloroethyl)Amino]-2,4-(1H,3H)Pyrimidinedione
Concentration: 98% minimum as supplied for lab and industrial use
Impurities: Trace chlorinated amines and pyrimidinone byproducts from synthesis; <1% total impurities
Chemical Family: Nitrogen mustards, pyrimidines
EC Number: 200-322-3
Molecular Weight: 252.09 g/mol
Inhalation: Remove victim to fresh air, keep at rest, monitor for breathing and consciousness, provide oxygen or artificial respiration if breathing is difficult; seek immediate medical attention
Skin Contact: Remove contaminated clothing, immediately flush skin with running water for at least 15 minutes, do not scrub, seek urgent medical attention
Eye Contact: Rinse cautiously with water for 15 minutes, holding eyelids open, remove contact lenses if possible, continue rinsing, get medical help
Ingestion: Call poison center or physician, rinse mouth, never give anything by mouth if unconscious, do not induce vomiting, transport to hospital at once
Notes for Physicians: Symptomatic treatment, monitor for delayed onset toxicity, treat as for exposure to strong alkylating agents and potential cytotoxic effects
Flash Point: Undetermined, expected low volatility
Extinguishing Media: Sand, dry chemical, CO2 extinguisher; do not use water jets as contaminated runoff is highly toxic
Unusual Fire and Explosion Hazards: Decomposes to generate toxic gases (HCl, chlorine, oxides of nitrogen)
Protective Equipment for Firefighters: Full self-contained breathing apparatus, chemical resistant gear, positive pressure suits if large quantities
Firefighting Advice: Keep containers cool with fine spray if safe, stay upwind, prevent runoff from entering sewers or water bodies, evacuate area if fire grows
Personal Precautions: Evacuate area, restrict access, trained personnel only; wear full PPE, including suit, gloves, boots, goggles, respirator
Environmental Precautions: Prevent entry to waterways, drains, or soils; alert local authorities to hazardous chemical risk
Clean-up Methods: Absorb with inert material (vermiculite, dry sand), never use sawdust; collect in sealed, labeled hazardous waste containers
Decontamination: Wash spill area completely with dilute sodium thiosulfate or similar decontaminant, ventilate thoroughly
Handling: Use only in fume hoods or glove boxes, avoid any physical contact, ground and bond containers for static control, avoid breathing dust, vapor, or mist
Storage: Store in original tightly closed, clearly labeled containers; keep away from heat, light, moisture, and incompatible materials (acids, oxidizers)
Compatibility: Segregate from food, feedstuffs, and other chemicals; separate storage for alkylating agents
Special Storage Conditions: Flammable chemical cabinets, secure access only for experienced handlers, refrigerated storage may be required for long-term stability
Exposure Limits: No occupational exposure limit established, handle as extremely toxic carcinogenic material; minimize exposure to lowest measurable level
Engineering Controls: Chemical fume hood, local exhaust ventilation, closed systems when possible
Personal Protection: Chemical-resistant gloves (nitrile, butyl), full acid-resistant lab coat, splash goggles, face shield, fitted respirator with organic vapor and particulates cartridge
Hygiene Measures: Thorough hand washing before eating, drinking, or smoking; remove and launder contaminated clothing separately; do not reuse gloves or PPE unless washed and inspected
Appearance: White to off-white crystalline powder
Odor: Slight chlorine-like or irritating chemical odor
Odor Threshold: Not available; avoid inhalation of vapor
pH: Slightly acidic in aqueous solution
Melting Point/Freezing Point: About 209 - 211°C (measured for related compounds)
Boiling Point/Range: Decomposes before boiling
Flash Point: Not applicable for solids under normal handling
Vapor Pressure: Negligible at room temperature
Water Solubility: Moderate, forms solution slowly
Partition Coefficient: log Kow not established
Auto-ignition Temperature: Not available
Decomposition Temperature: >210°C
Viscosity: Not applicable
Chemical Stability: Stable under standard lab conditions, sensitive to moisture and light
Reactivity: Rapid reaction with nucleophiles (amines, thiols), decomposes with strong acids or bases
Incompatible Materials: Strong oxidizers, water, alkalis, acids, strong reducing agents
Hazardous Decomposition Products: Nitrogen oxides, phosgene, HCl, unidentified toxic fumes on combustion or thermal breakdown
Hazardous Polymerization: Not expected under normal handling, but can occur with improper storage
Routes of Exposure: Inhalation, skin absorption, ingestion, eye exposure
Acute Effects: Severe local burns, mucous membrane irritation, pulmonary edema, central nervous system depression, nausea, vomiting, bone marrow suppression
Chronic Effects: Cancer risk, mutagenic effects, reproductive toxicity, cumulative organ damage to liver, kidneys, immune system
Carcinogenicity: Confirmed by animal studies and human data for related nitrogen mustard compounds (IARC 1 or 2A)
LD50 (oral rat): Estimated 5-30 mg/kg
Symptoms of Overexposure: Blistering, dermatitis, shortness of breath, convulsions, blood disorders
Medical Conditions Aggravated: Pre-existing liver, kidney, immune, or respiratory conditions
Ecotoxicity: Highly toxic to aquatic life, persistence and bioaccumulation potential significant
Aquatic Toxicity: LC50 (fish, 96 hrs): <1 mg/liter (estimated from similar chemicals)
Soil Persistence: Moderately persistent, hydrolysis and microbial breakdown slow
Mobility in Soil: Mobile in moist soils, risk for leaching into groundwater
Bioaccumulative Potential: Moderate; uptake by aquatic organisms, risk for food chain effects
Other Ecological Hazards: Non-target organisms may be affected at low concentrations; avoid direct release to environment
Waste Treatment Methods: Incineration at approved hazardous chemical facilities under controlled conditions
Contaminated Packaging: Dispose of as hazardous waste; triple rinse, then puncture and incinerate or send to licensed handler
Sewage Disposal Prohibition: Do not discharge to sewer, surface water, or soils
Regulatory Restrictions: Must comply with local, regional, national hazardous waste disposal regulations; consult waste authority for guidance
Preferred Disposal: High-temperature incineration by licensed hazardous materials contractor
UN Number: UN 2811 (Toxic Solid, Organic, NOS)
UN Proper Shipping Name: Toxic solid, organic, n.o.s. (contains bis(2-chloroethyl)amino-pyrimidinedione)
Transport Hazard Class: 6.1 (Toxic Substance)
Packing Group: I (highest danger category)
Environmental Hazards: Marine pollutant; reportable under environmental transport laws
Special Precautions: Fully sealed, labeled packaging; handled only by trained carriers
Transport in Bulk: Not permitted per international codes
Emergency Response Guide: Refer to DOT and international regulations for spills and exposure during transit
TSCA Status: Listed or regulated as special chemical
OSHA Hazard Category: Immediate (acute) health hazard, delayed (chronic) health hazard, carcinogen
SARA Title III: Section 313 Toxic Chemical; subject to notification and emergency planning
EU Classification: Toxic by inhalation, ingestion, and absorption through skin; carcinogen, mutagen
International Inventory Status: Present on inventory for major jurisdictions (EINECS, DSL, AICS, PICCS, ENCS), but subject to export restrictions
Labeling Requirements: Requires GHS-compliant pictograms, signal words, hazard statements, safe-handling instructions
Other Regulations: Medical surveillance advisable for handlers, access by authorization only, special permits for research or transport required by many countries
