MSDS for 1,3-Benzothiazole-6-Sulfonyl Chloride

Identification

Product Name: 1,3-Benzothiazole-6-sulfonyl chloride
Chemical Formula: C7H4ClNO2S2
CAS Number: 36161-43-0
Recommended Use: Laboratory chemicals, synthesis of pharmaceuticals and specialty chemicals
Supplier: [Company contact information]
Emergency Phone: [Local emergency number / CHEMTREC]

Hazard Identification

Classification: Acute toxicity (oral, inhalation, dermal); Skin corrosion/irritation; Serious eye damage/irritation; Specific target organ toxicity
Label Elements: Harmful if swallowed, in contact with skin or if inhaled; causes skin burns and eye damage
Pictograms: Skull and crossbones, Corrosive
Signal Word: Danger
Hazard Statements: Harmful or fatal if swallowed, causes severe skin burns and eye damage, may cause respiratory irritation, toxic to aquatic life
Precautionary Statements: Wear protective clothing, eye and face protection; avoid breathing dust and contact with skin; wash thoroughly after handling

Composition / Information on Ingredients

Chemical Name: 1,3-Benzothiazole-6-sulfonyl chloride
Synonyms: Benzothiazole-6-sulfonyl chloride
Concentration: >98%
Impurities: Minor organic by-products from synthesis, concentration typically below 1%
Molecular Weight: 233.7 g/mol

First Aid Measures

General Advice: Seek immediate medical attention for all exposures, remove contaminated clothing
Inhalation: Move to fresh air, keep patient warm and at rest, provide oxygen if breathing is difficult, administer artificial respiration if not breathing
Skin Contact: Rinse skin with plenty of water for at least 15 minutes, remove contaminated clothing and shoes
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy to do, continue rinsing, seek medical attention
Ingestion: Do not induce vomiting, rinse mouth with water, never give anything by mouth to an unconscious person, call physician or poison center

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical powder, foam, carbon dioxide, water spray (avoid direct water stream on burning liquid)
Unsuitable Extinguishing Media: Avoid high pressure water jets
Hazards: Emits toxic fumes of sulfur oxides, nitrogen oxides, hydrogen chloride on decomposition or combustion
Protective Equipment: Wear full protective suit, self-contained breathing apparatus
Advice for Firefighters: Move containers from fire if safe, do not breathe combustion gases, use water to keep adjacent containers cool

Accidental Release Measures

Personal Precautions: Evacuate area, wear suitable protective clothing, ensure adequate ventilation, avoid contact with skin and eyes
Environmental Precautions: Prevent spillage from entering drains or waterways, inform authorities if the product has caused environmental pollution
Methods for Containment and Cleaning Up: Sweep up and place in a suitable container for disposal, avoid dust formation, clean spills thoroughly with water and detergent, ventilate area, dispose of materials according to local regulations

Handling and Storage

Handling: Use in a well-ventilated area or fume hood, keep container tightly closed, avoid contact with skin, eyes, and clothing, wash hands after handling, do not eat, drink, or smoke in work area
Storage: Store in a cool, dry, and well-ventilated place away from incompatible substances like water, strong oxidizers, and bases, protect container from physical damage, keep away from direct sunlight and heat sources

Exposure Controls and Personal Protection

Occupational Exposure Limits: No specific limits established; minimize exposure to safest extent
Engineering Controls: Use fume hood or chemical process enclosure to control airborne levels
Personal Protective Equipment: Chemical-resistant gloves, splash-proof or dust-proof goggles, lab coat, suitable respiratory protection if ventilation is inadequate, emergency showers and eyewash stations nearby
Hygiene Measures: Remove and wash contaminated clothing before reuse, wash hands thoroughly after handling.

Physical and Chemical Properties

Appearance: White to off-white crystalline powder
Odor: Not significant, may release sulfurous odor if decomposed
Odor Threshold: Not established
pH: Not applicable (solid)
Melting Point: 115–120°C
Boiling Point: Not available
Flash Point: Not available
Evaporation Rate: Not determined
Flammability: Not highly flammable but may combust at high temperatures
Vapor Pressure: Negligible at room temperature
Vapor Density: Not determined
Solubility: Reacts with water, soluble in organic solvents like dichloromethane
Partition Coefficient (n-octanol/water): Not established
Decomposition Temperature: Decomposes above 150°C
Viscosity: Not applicable (solid)

Stability and Reactivity

Chemical Stability: Stable under normal conditions, moisture sensitive
Reactivity: Reacts with water or humidity, generating corrosive fumes of sulfur dioxide and hydrochloric acid; incompatible with strong bases and oxidizing agents
Possibility of Hazardous Reactions: Generates corrosive gases if in contact with water or humid air
Hazardous Decomposition Products: Sulfur oxides, nitrogen oxides, hydrogen chloride
Conditions to Avoid: Moisture, direct sunlight, heat, incompatible substances

Toxicological Information

Routes of Exposure: Inhalation, skin, eye, ingestion
Acute Toxicity: Harmful or fatal if swallowed, inhaled, or absorbed through skin; burns eyes, skin, and mucous membranes
Symptoms: Severe irritation, burns, pain, redness, coughing, dizziness, shortness of breath, possible delayed lung edema
Chronic Effects: Prolonged or repeated exposure may result in skin sensitization or chronic respiratory issues; no known carcinogenicity by OSHA, but benzothiazole derivatives have raised some concern in animal studies
LD50 (oral, rat): Data not widely published, expected to be in moderately toxic range

Ecological Information

Ecotoxicity: Toxic to aquatic organisms, may cause long-term adverse effects in aquatic environments
Persistence and Degradability: Not readily biodegradable, hydrolyzes slowly in water, breakdown products may remain in soil and sediments
Bioaccumulative Potential: Moderate, based on structure and potential for persistence
Mobility in Soil: May bind to organic matter and soils, could contaminate groundwater if released
Other Adverse Effects: Avoid uncontrolled release to the environment, may be harmful to wildlife

Disposal Considerations

Waste Treatment Methods: Dispose of as hazardous waste in compliance with local, state, and federal regulations
Disposal of Product: Do not discharge into drains or environment; place in suitable labeled containers for authorized chemical waste handler
Disposal of Packaging: Decontaminate empty containers with suitable alkaline solution and dispose of as hazardous chemical; do not reuse containers for other purposes

Transport Information

UN Number: 3261
UN Proper Shipping Name: Corrosive Solid, Acidic, Organic, N.O.S. (contains 1,3-Benzothiazole-6-sulfonyl chloride)
Transport Hazard Class: 8 (Corrosive substance)
Packing Group: II
Environmental Hazards: Yes (marine pollutant)
Special Precautions for User: Handle containers with appropriate care, avoid spillage during transport, ensure labels remain visible and legible

Regulatory Information

OSHA Regulatory Status: Classified as hazardous
TSCA Status: Listed or in compliance
SARA Title III - Section 313: Not regulated as a specific listed substance, but general reporting for hazardous substances applies
WHMIS (Canada): Class E, Corrosive Material
EU Regulations: Complies with REACH registration requirements where applicable; hazard pictograms, risk and safety phrases required
Other Local Regulations: Confirm compliance with national and local environmental, safety, chemical storage, and transportation laws
Labeling Requirements: Clearly mark containers with hazard identification and handling instructions, keep up-to-date SDS available for emergency responders