Material Safety Data Sheet for 1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-

Identification

Product Name: 1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-
Chemical Formula: C21H24ClN5O6
Synonyms: No known synonyms
Recommended Use: Laboratory chemical, manufacturing intermediate, research and development
Supplier Information: Name, Address, Phone Number, Emergency Phone
Emergency Overview: Yellowish solid, faint chemical odor, not intended for direct consumer use

Hazard Identification

Classification: Eye irritant, skin sensitizer, harmful if swallowed, hazardous to aquatic life
Hazard Statements: Causes skin and eye irritation, may cause allergic skin reaction, harmful if ingested.
Pictograms: Exclamation mark, Health hazard, Aquatic hazard symbol
Signal Word: Warning
Precautionary Statements: Wash thoroughly after handling, avoid breathing dust, do not release to environment, wear protective gloves and eye protection
Other Hazards: May release small amounts of irritating gases with decomposition

Composition / Information on Ingredients

Main Ingredient: 1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-
CAS Number: 114596-54-2
Concentration: 97–100%
Impurities: May include traces of related aromatic amines or residual solvent (less than 1%)
Other Ingredients: None reported as hazardous

First Aid Measures

General Measures: Seek immediate medical attention for severe symptoms or large exposures
Inhalation: Move to fresh air, keep at rest, support breathing as needed, call for medical help if coughing or irritation persists
Skin Contact: Remove contaminated clothing, wash affected skin thoroughly with soap and water for at least 15 minutes, seek assistance if rash or burns appear
Eye Contact: Rinse cautiously with clean water for several minutes, remove contact lenses if present, continue flushing, contact an eye specialist if irritation continues
Ingestion: Do not induce vomiting, seek medical attention, rinse mouth, never give anything by mouth to an unconscious person

Fire-Fighting Measures

Suitable Extinguishing Media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide
Specific Hazards: May produce nitrogen oxides, hydrogen chloride gas or carbon oxides during combustion
Advice for Firefighters: Wear full-body fire protective gear and self-contained breathing apparatus, prevent run-off from entering drains or water sources
Explosion Data: Product not known to be explosive under normal use; may decompose at high temperatures

Accidental Release Measures

Personal Precautions: Use appropriate PPE including gloves, goggles, and a dust mask; ventilate area well
Environmental Precautions: Prevent further leakage, do not allow entry into soil, sewers or water bodies
Containment: Collect spilled material with an inert absorbent, sweep with minimal dust, store in a sealed container for disposal
Cleanup Procedures: Use tools to collect as much as possible, wash area with plenty of water, dispose of residues according to local regulations

Handling and Storage

Safe Handling: Avoid contact with skin, eyes and clothing; do not breathe dust; use only with adequate ventilation; handle in accordance with best laboratory practices
Storage Conditions: Store in tightly closed original container; keep in cool, dry, well-ventilated place, protected from direct sunlight and incompatible chemicals
Incompatibilities: Strong oxidizing agents, strong acids, reducing agents, bases
Hazardous Decomposition: May lead to emission of hazardous vapors under extreme conditions

Exposure Controls and Personal Protection

Occupational Exposure Limits: No established workplace limits for this compound
Engineering Controls: Work under local exhaust fume hood, use dust extraction systems
Personal Protective Equipment: Chemical-resistant gloves (nitrile or PVC), splash-proof goggles, laboratory coat or apron, respiratory protection if dust is generated
Hygiene Measures: No eating, drinking or smoking while handling; wash hands and clothes after work

Physical and Chemical Properties

Appearance: Yellow solid or powder
Odor: Faint chemical odor
Odor Threshold: Not established
pH: Not determined
Melting Point/Freezing Point: Approximately 180–185°C
Boiling Point/Range: Not measured; decomposes on heating
Flash Point: Not available
Evaporation Rate: Not applicable
Flammability: Not classified as flammable
Vapor Pressure: Low, estimated below 1 Pa at 20°C
Solubility: Low water solubility, higher in organic solvents like DMSO or ethanol
Partition Coefficient (log Kow): Not established
Autoignition Temperature: Not available
Decomposition Temperature: Above 200°C
Viscosity: Not applicable (solid product)

Stability and Reactivity

Chemical Stability: Stable under normal temperature and pressure; avoid overheating
Reactivity: Unlikely to react under recommended use conditions
Possibility of Hazardous Reactions: Strong oxidizers may cause exothermic reactions; may emit toxic fumes on decomposition
Conditions to Avoid: Open flame, excessive heat, moisture, incompatible materials
Hazardous Decomposition Products: Carbon oxides, nitrogen oxides, hydrogen chloride, other aromatic compounds

Toxicological Information

Routes of Exposure: Inhalation, skin and eye contact, ingestion
Acute Toxicity: Low acute toxicity by oral, dermal, inhalation routes; data for specific compound limited, structurally related nitro-aromatics have moderate systemic toxicity
Skin Corrosion/Irritation: Prolonged contact can cause redness, irritation, possible dermatitis
Eye Damage/Irritation: Causes eye irritation, redness and tearing possible
Respiratory Sensitization: Exposure to dust may irritate airways; asthmatics may be more sensitive
Carcinogenicity: Not listed by IARC, NTP, OSHA or ACGIH
Mutagenicity: No available in vivo data, structurally related compounds may have some mutagenic potential
Reproductive Effects: No studies reported
Chronic Effects: No long-term animal studies available, some nitro-chlorinated aromatics cause target organ effects in repeated exposures

Ecological Information

Ecotoxicity: Possibly toxic to aquatic organisms, risk of bioaccumulation in aquatic food chain
Persistence and Degradability: Likely to undergo slow degradation in soil or water; nitro-aromatic moiety persistent in environment
Mobility in Soil: May bind to soil organic matter, slight potential for leaching
Bioaccumulation Potential: Limited data; similar structures show moderate to high log Kow indicating possible bioaccumulation
Other Adverse Effects: Avoid uncontrolled release into environment, could harm non-target organisms

Disposal Considerations

Disposal Methods: Incinerate in authorized chemical waste facility or follow local, state and national regulations for hazardous chemical waste
Container Disposal: Rinse and triple wash empty containers, render unusable, dispose with licensed hazardous waste contractors
Precautions: Prevent contamination of surface and ground water by proper disposal

Transport Information

UN Number: Not assigned
UN Proper Shipping Name: Chemical, N.O.S. (contains 1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-)
Transport Hazard Class: Not classified as hazardous for transportation per latest ADR, IMDG and IATA regulations
Packing Group: Not applicable
Environmental Hazards: Not a marine pollutant in small quantities, bulk shipments require labeling
Special Precautions: Handle as hazardous chemical in transit, follow local rules for chemical handling and carriage

Regulatory Information

TSCA (USA): Not listed
REACH (EU): Not registered
OSHA (Hazard Communication): Listed as hazardous chemical
SARA 313: Not listed as a reportable toxic chemical
EINECS/ELINCS (EU): Not listed
California Prop 65: Not listed
Other Regulations: Workers must receive adequate training, product label must follow regulatory hazard communication standards
International Inventory: Not found in main chemical inventories, use with caution following best practices for hazardous chemical handling