Material Safety Data Sheet: Sodium (1.0-1.95)/Lithium (0.05-1) 5-((5-((5-Chloro-6-Fluoro-Pyrimidin-4-Yl)Amino)-2-Sulfonatophenyl)Azo)-1,2-Dihydro-6-Hydroxy-1,4-Dimethyl-2-Oxo-3-Pyridinemethylsulfonate

Identification

Product Name: Sodium (1.0-1.95)/Lithium (0.05-1) 5-((5-((5-Chloro-6-Fluoro-Pyrimidin-4-Yl)Amino)-2-Sulfonatophenyl)Azo)-1,2-Dihydro-6-Hydroxy-1,4-Dimethyl-2-Oxo-3-Pyridinemethylsulfonate
Common Name: Not available
Product Use: Analytical reagent, dye stuff, specialty chemical
Manufacturer/Supplier: Commercial chemical manufacturer
Emergency Phone Number: Manufacturer or local poison control
CAS Number: Not registered, combination complex
EC Number: Not applicable to this specific mixture
Molecular Formula: C18H14ClFN7O8S3Na/Li

Hazard Identification

GHS Classification: Acute toxicity (oral, dermal), Category 4; Eye irritation, Category 2A; Skin sensitizer, Category 1; Specific target organ toxicity, single exposure, Category 3
Pictogram: Exclamation Mark
Signal Word: Warning
Hazard Statements: Harmful if swallowed, causes serious eye irritation, may cause an allergic skin reaction, may cause respiratory irritation
Precautionary Statements: Avoid breathing dust or vapors, wash hands thoroughly after handling, wear protective gloves/eye protection, do not eat, drink or smoke while using product, use only in well-ventilated areas
Routes of Exposure: Inhalation, skin contact, ingestion, eye contact
Potential Health Effects: Irritation of skin, eyes and respiratory tract, allergic reactions, dizziness or headache on overexposure, possible effects on organs after repeated exposure
Environmental Impact: Toxic to aquatic life with long lasting effects

Composition / Information on Ingredients

Chemical Name: Sodium/Lithium salt of 5-((5-((5-Chloro-6-Fluoro-Pyrimidin-4-Yl)Amino)-2-Sulfonatophenyl)Azo)-1,2-Dihydro-6-Hydroxy-1,4-Dimethyl-2-Oxo-3-Pyridinemethylsulfonate
Synonyms: None known
Concentration: Sodium: 1.0-1.95% w/w, Lithium: 0.05-1% w/w, remaining balance: organic constituent
Impurities & Stabilizers: No additional relevant information known; trace sodium or lithium salts may occur as process residuals
CAS/EC Numbers: Not officially assigned for complex mixture
Additional Information: Contains highly polar sulfonate groups and azo linkages, as well as halogenated pyrimidine ring structure

First Aid Measures

Inhalation: Move to fresh air, maintain airway, seek medical attention if symptoms develop such as coughing, shortness of breath, or wheezing
Skin Contact: Remove contaminated clothing, wash skin thoroughly with soap and plenty of water, seek medical care for rash, redness, or allergic reaction
Eye Contact: Rinse eyes carefully with water for at least 15 minutes, lifting eyelids occasionally, remove contact lenses if present, get medical attention for redness, pain, or persistent discomfort
Ingestion: Rinse mouth, do not induce vomiting, seek immediate medical advice/attention, note substances’ irritant and toxic potential
Most Important Symptoms/Effects: Eye and skin irritation, allergic reactions such as rash or itching, irritation in nose or throat, gastrointestinal upset if ingested
Notes for Physician: Treat symptomatically, monitor for delayed pulmonary effects or allergic response, consider observation for several hours
Special Precautions: Rescuers should use personal protective equipment, avoid direct contact

Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, carbon dioxide, foam, dry chemical
Unsuitable Extinguishing Media: Direct water jet on powder
Specific Hazards: May release toxic vapors of nitrogen oxides, sulfur oxides, HCl, HF, carbon monoxide, carbon dioxide under fire conditions
Special Protective Equipment: Full protective clothing, self-contained breathing apparatus
Fire Fighting Procedures: Keep people away, cool tanks/drums with water spray, avoid exposure to fumes, contain fire control water
Hazardous Combustion Products: Smoke, toxic and corrosive halogenated gases, low-molecular thermal degradation organics
Explosion Hazards: Avoid accumulation of dust, dust/air mixtures can ignite under some conditions

Accidental Release Measures

Personal Precautions: Avoid contact with skin and eyes, prevent dust generation, use suitable protective gear including gloves, lab coat, goggles, and a suitable mask or respirator
Environmental Precautions: Prevent entry of mass into drains, sewers, soil or open water, use diking to contain leaks and spills
Methods for Clean-up: Sweep or scoop up material into suitable, labeled disposal container, clean area with water and detergent, ventilate affected area, avoid dry brushing that may create airborne dust
Spill Response: Use chemical absorbent for liquid, collect for proper disposal
Disposal: Dispose of contaminated materials as hazardous waste according to local and federal regulations
Decontamination: Wash area with water, ensure all residues are removed, remove and launder contaminated clothing before reuse

Handling and Storage

Handling: Avoid ingestion, inhalation, and contact with eyes/skin, use with adequate ventilation, avoid smoking or eating in handling area, keep container closed when not in use, minimize generation of dust, employ strict hygiene practices, train personnel in safe handling
Storage: Store in tightly-closed original container in a cool, dry, well-ventilated place, away from incompatible substances such as strong oxidizers and acids, avoid exposing product to direct sunlight and moisture, use secondary containment for bulk storage, keep out of reach of children, label storage area and containers clearly
Specific Requirements: Do not store near food or animal feed, segregate from flammable materials and reducing agents, monitor periodically for leaks or container deterioration
Incompatibilities: Avoid strong reducing/oxidizing agents, bases, acids, metal powders

Exposure Controls and Personal Protection

Occupational Exposure Limits: None established specifically for this substance; for nuisance dusts: OSHA PEL: 15 mg/m³ (total), 5 mg/m³ (respirable); ACGIH TLV: 10 mg/m³; supplier recommendations: minimize exposure as low as reasonably achievable
Engineering Controls: Use fume hood or local exhaust ventilation, monitor atmospheric concentration in work area, ensure eyewash station and safety shower are nearby
Personal Protective Equipment: Nitrile or rubber gloves, chemical splash goggles, face shield, laboratory coat or coveralls, respiratory protection such as N95 particulate mask in low-dust areas, higher protection in poorly ventilated situations
Hygiene Measures: Wash hands after handling, remove and wash contaminated clothing before reuse, avoid eating/drinking/smoking in work area
Environmental Controls: Implement spill control procedures, prevent release to environment, collect, treat and dispose of air or water emissions as hazardous waste

Physical and Chemical Properties

Appearance: Red to reddish-brown powder, slight odor
Odor: Faint chemical
Odor Threshold: Not determined
pH: 6.5–8 (1% aqueous solution)
Melting Point/Freezing Point: Decomposes above 180°C (estimated, due to azo and sulfonate groups)
Boiling Point/Range: Not applicable; decomposes
Flash Point: Not flammable as solid
Evaporation Rate: Not applicable
Flammability: Non-flammable solid under standard conditions
Explosive Properties: May form combustible dust/air mixture
Vapor Pressure: Negligible
Vapor Density: Not determined
Solubility: Readily soluble in water, limited solubility in organic solvents
Partition Coefficient (n-octanol/water): Not available
Auto-ignition Temperature: Not determined
Decomposition Temperature: >180°C
Viscosity: Not applicable
Molecular Weight: Complex, approx. 600–700 g/mol
Other Data: Forms colored solutions, sensitive to strong acids and bases, stable as supplied in dry state

Stability and Reactivity

Stability: Stable under normal storage and handling conditions, sensitive to high heat, sunlight, strong oxidizers and acids
Hazardous Reactions: May react violently with metals, strong reducing agents or strong oxidizers, forms hazardous decomposition products at high temperature
Conditions to Avoid: Excess moisture, direct sunlight, storage at high temperature, contact with incompatible chemicals
Incompatible Materials: Strong acids, strong bases, oxidizing/reducing agents, organic peroxides, alkali metals
Hazardous Decomposition Products: Nitrogen oxides (NOx), sulfur oxides (SOx), hydrogen chloride, hydrogen fluoride, carbon monoxide, carbon dioxide, potentially toxic aromatic compounds

Toxicological Information

Acute Toxicity: Harmful if ingested (est. LD50 oral rat: 300–1000 mg/kg), harmful if inhaled in dust form, may cause mild to moderate skin/eye irritation
Chronic Toxicity: Prolonged or repeated exposure may cause skin dermal sensitization or allergies, reports of organ system effects are rare for similar compounds
Skin Corrosion/Irritation: Causes skin irritation, risk of dermatitis with repeated exposure
Serious Eye Damage/Irritation: Causes moderate to severe eye irritation
Respiratory or Skin Sensitization: May cause allergic skin reaction (known for azo compounds), prolonged inhalation causes respiratory tract irritation
Carcinogenicity, Mutagenicity, Reproductive Toxicity: Not classified as carcinogenic or mutagenic, azo compounds may become a concern if biotransformed in vivo
Specific Target Organ Toxicity: May cause respiratory tract irritation
Aspiration Hazard: Not classified
Other Data: No data for reproductive effects, neurological or developmental toxicity

Ecological Information

Toxicity: Very toxic to aquatic life (algae, invertebrates, fish) with long-lasting effects at levels above 1 mg/L
Persistence and Degradability: Moderately persistent, azo bond and sulfonate group lower complete biological degradability, risk of environmental persistence especially in sediment
Potential for Bioaccumulation: Limited, due to high water solubility but some metabolites could bioaccumulate
Mobility in Soil: High mobility from water solubility; risk of groundwater contamination if mismanaged
Other Adverse Effects: High color intensity can affect light transmission in water, altering microbiological communities
Degradation Products: Aromatic amines, halogenated fragments; may be more toxic than parent compound in some systems
Avoid Release: Do not allow large quantities to reach waterways, use containment methods during cleanup to reduce environmental impact

Disposal Considerations

Waste Treatment Methods: Dispose of as hazardous waste following local, national, international rules, do not dispose via municipal sewage or drains
Container Disposal: Triple rinse, puncture and dispose of containers in accordance with chemical regulations, return to supplier for recycling where possible
Incineration: High-temperature incineration in approved facility, use proper flue gas cleaning to capture halogens and sulphur
Other Methods: Use licensed chemical disposal contractor
Precautions: Label all waste containers with content, hazard, and date
Do Not: Do not burn contaminated solids in open-air settings, do not mix with household wastes

Transport Information

UN Number: Not assigned
UN Proper Shipping Name: Environmentally hazardous substance, solid, n.o.s. (contains sodium/lithium salt azo dye)
Transport Hazard Class: 9 (Miscellaneous dangerous substances and articles)
Packing Group: III
Marine Pollutant: Yes (contains sulfonates and azo linkages)
Special Precautions: Keep away from food, double containment for bulk shipments, avoid rough handling/material spillage en route
Transport Regulations: Follow ADR/RID/IMDG/IATA transport guidelines, ensure secure labelling/packaging, notify authorities of accidental release during transport

Regulatory Information

Inventory Status: Not listed on TSCA, EINECS/ELINCS for full mixture, may be regulated as hazardous chemical due to sodium/lithium azo-sulfonate content
Federal Regulations: Subject to OSHA Hazard Communication, SARA Title III Sections 311/312 hazard categories: acute/chronic health, environmental hazard; not specifically listed for CERCLA/EPCRA reporting but monitor as special chemical
State Regulations: California Prop 65: Not listed but best practices suggest to notify due to dye/azo content
International Regulations: May be classified as hazardous according to EU REACH and GHS standards; Japan, China, Korea: subject to local chemical management laws
Workplace Labelling: Clearly label containers with identity, hazard pictograms, and emergency contact
Community Right-to-Know: Supply SDS to users as required, train employees in safe handling/disposal, provide access to information on environmental/health risks
Other Requirements: Maintain records of use and disposal; ensure emergency procedures for spills and exposure are current and practiced regularly