Product Name: N,N'-Carbonyldiimidazole
Chemical Formula: C7H6N4O
CAS Number: 530-62-1
Synonyms: Carbonyldiimidazole, CDI, 1,1'-Carbonyldiimidazole
Recommended Use: Useful in peptide synthesis, coupling reactions, and organic synthesis involving carbonyl transfer
Supplier Name: [Supplier’s Name, Address, Phone, Emergency Contact Number]
Hazard Classification: Irritant to eyes, respiratory tract and skin, potential allergen
Label Elements: Harmful if inhaled or swallowed, risk of severe irritation, may cause allergic symptoms
Signal Word: Warning
Hazard Statements: Causes eye, skin and respiratory system irritation, may react with moisture, can generate toxic gases in contact with water or acids
Pictogram Codes: GHS07 (Exclamation Mark)
Chemical Identity: N,N'-Carbonyldiimidazole
Concentration: >99% (by weight)
Impurities: Imidazole-type traces, solvent residues in minor concentrations
Additive Components: None specified beyond trace impurities
Eye Contact: Rinse immediately with plenty of water, lift eyelids occasionally, seek medical help if irritation persists
Skin Contact: Rinse the affected areas thoroughly, remove contaminated clothing, consult a doctor if sensation of burning or redness remains
Inhalation: Move outdoors, use fresh air, assist breathing if required, consult a physician
Ingestion: Rinse mouth, do not induce vomiting, call for medical advice straightaway
Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, foam
Inappropriate Media: Water spray may be ineffective for large fires, may spread contamination
Specific Hazards: Generates nitrogen oxides, carbon oxides, and potentially toxic imidazole vapors upon combustion
Protective Equipment: Full protective gear, self-contained breathing apparatus
Firefighting Instructions: Suppress runoff from reaction with water, ventilate area due to toxic fumes
Personal Precautions: Wear gloves, goggles, lab coat; use NIOSH-approved respirator if dust or mist forms
Environmental Precautions: Prevent product from entering drains, surface or ground water
Clean-up Methods: Avoid generating dust, collect spilled material with a dry non-combustible absorbent (like dry sand), transfer to secure container for proper disposal
Ventilation: Air out affected area, ventilate fully to dissipate vapors and dust
Handling: Handle under dry, well-ventilated conditions, avoid direct exposure to skin or eyes, keep container tightly sealed between uses to prevent moisture access, minimize dust and vapors during transfer
Storage Conditions: Store below 25°C, in a tightly closed moisture-proof container, in a cool dry space away from acids, oxidizers, and water sources
Incompatibility: Do not store near water, acids, oxidizing substances
Engineering Controls: Use local exhaust and laboratory fume hood to limit airborne dust or vapor
Eye Protection: Approved safety goggles or chemical splash glasses
Skin Protection: Chemical-resistant gloves, long-sleeved clothing, closed shoes
Respiratory Protection: NIOSH-approved dust or respirator mask for operations with insufficient ventilation
Hygiene Measures: Wash hands thoroughly after handling, remove contaminated clothing, clean work surface after use
Appearance: White to off-white crystalline powder
Odor: Faint, characteristic imidazole-like odor
Melting Point: 117–122°C
Boiling Point: Not applicable, decomposes before boiling
pH: Not measurable (decomposes in water)
Solubility: Slightly soluble in water, soluble in polar organic solvents such as DMF, DMSO, acetone
Vapor Pressure: Negligible at room temperature
Partition Coefficient (n-octanol/water): Not determined
Density: ~1.44 g/cm³ at 20°C
Decomposition Temperature: >140°C, reacts with water, releasing imidazole
Chemical Stability: Stable when dry and properly stored, decomposes on exposure to moisture or high temperatures
Reactivity Profile: Hydrolyzes rapidly with water, reacts with acids, releases CO2 and imidazole upon decomposition
Hazardous Reactions: Releases irritating and toxic vapors when in contact with moisture, may react violently with strong acids or oxidizers
Polymerization: Not anticipated under normal usage
Potential Health Effects: Causes severe irritation to eyes, skin and upper respiratory system, repeated exposure can provoke sensitization
Route of Exposure: Inhalation, skin or eye absorption, ingestion
Acute Toxicity: Oral LD50 (rat) approx. 500 mg/kg
Chronic Effects: Extended skin or respiratory exposure may cause dermatitis, allergic effects
Carcinogenicity: No known hazards according to current IARC, NTP or OSHA data
Ecotoxicity: Data limited, not considered highly hazardous but can harm aquatic environments due to pH effect or imidazole residues
Mobility: Releases hydrolysis products in moist environments which may migrate into groundwater
Persistence and Degradability: Hydrolyzes to imidazole and CO2, these breakdown to less harmful products over time
Bioaccumulation: Low potential for bioaccumulation
Other Adverse Effects: Avoid release into the environment, particularly water bodies
Waste Disposal: Dispose of as hazardous chemical waste in accordance with local, regional, and national regulations, do not flush to sewer
Container Handling: Triple rinse empty containers, puncture and send to hazardous waste facility
Precautions for Disposal: Neutralize or react residue before landfill disposal, incinerate waste in approved chemical incinerator with afterburner and scrubber
UN Number: Not listed under standard UN numbers
Proper Shipping Name: Not regulated for ground, air, or sea
Hazard Class: Not classified as dangerous
Packing Group: Not regulated
Transport Precautions: Ship in tightly closed container, avoid mechanical shock, temperature extremes, and moisture ingress during shipment
TSCA Status: Listed in the US Toxic Substances Control Act inventory
REACH Status: Meets regulation criteria, listed as existing substance in EU
OSHA Status: Not listed as specifically regulated hazard, though classified as irritant
Other Regulations: DSL (Canada): Appears on inventory, WHMIS classification: D2B (Toxic/irritant material)
SARA Title III: Not reportable under Sections 302, 313
State Regulations: Subject to general chemical safety guidelines, may be cited in local hazardous chemical registries
