Lithium 1,2-benzothiazol-2-id-3-one
C7H4LiNOS
lithium 1,2-benzothiazol-2-id-3-one
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Identification
- CAS Number
- 111337-53-2
- EC Number
- 411-690-1
- UN Number
- 3263
- Index Number
- 613-179-00-0
- PubChem CID
- 42598112
Physical-chemical properties
- Molecular Formula
- C7H4LiNOS
- Molar Mass
- 157.10 g/mol
- IUPAC Name
- lithium 1,2-benzothiazol-2-id-3-one
Chemical Identifiers
- InChI
- InChI=1S/C7H5NOS.Li/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1/p-1
- InChI Key
- CTUHKWPZGVCJLL-UHFFFAOYSA-M
Overview
Lithium 1,2-benzothiazol-2-id-3-one (CAS 111337-53-2) is an organolithium compound with antimicrobial and preservative properties used in industrial applications. This specialized organolithium compound represents an important class of heterocyclic preservatives designed for industrial use. With the molecular formula C7H4LiNOS and a molecular weight of 157.1 g/mol, lithium 1,2-benzothiazol-2-id-3-one combines the benzothiazole ring system with lithium coordination, creating unique chemical properties that make it valuable for specific technical applications. The compound presents significant safety considerations that must be carefully managed in industrial settings. Classified under multiple hazard categories including Acute Toxicity 4, Skin Corrosion 1B, Skin Sensitization 1, and Aquatic Chronic Toxicity 2, it requires appropriate handling protocols and protective equipment. The ADR Class 8 classification indicates its corrosive nature during transport, while the GHS pictogramms (GHS07, GHS05, GHS09) clearly communicate the associated health and environmental hazards to users. Primary industrial applications include antimicrobial preservation in water treatment systems, biocide formulations for industrial processes, and specialized chemical synthesis as an intermediate compound. The lithium coordination provides enhanced stability compared to related compounds like sodium 5-butylbenzotriazol-1-ide, methanesulfonate, while offering different solubility characteristics that can be advantageous in specific formulations. The benzothiazole backbone contributes to its effectiveness as a preservative agent, particularly in aqueous systems where microbial control is essential. This makes it valuable in cooling water systems, metalworking fluids, and other industrial applications requiring reliable antimicrobial activity. OYSI maintains reliable supply chains for lithium 1,2-benzothiazol-2-id-3-one, ensuring consistent availability for European industrial customers requiring this specialized preservative compound.
Safety & Classification
Acute Tox. 4 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3263 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | Lithium-3-oxobenzo[d]isothiazol-2-id |
| Marine Pollutant | No |
Frequently Asked Questions
What is lithium 1,2-benzothiazol-2-id-3-one?
Lithium 1,2-benzothiazol-2-id-3-one is an organolithium compound with the molecular formula C7H4LiNOS and CAS number 111337-53-2. This chemical substance has a molecular weight of 157.1 g/mol and belongs to the benzothiazole derivative family. It is classified as a hazardous substance with corrosive properties and potential acute toxicity, requiring careful handling in industrial applications.
What are the physicochemical properties of lithium 1,2-benzothiazol-2-id-3-one?
Lithium 1,2-benzothiazol-2-id-3-one is a solid organolithium compound with a molecular weight of 157.1 g/mol. As an ionic lithium salt, it typically exhibits good solubility in polar solvents. The compound contains sulfur, nitrogen, and lithium atoms within its benzothiazole ring structure, contributing to its unique chemical reactivity and stability characteristics in various chemical environments.
What is lithium 1,2-benzothiazol-2-id-3-one used for?
Lithium 1,2-benzothiazol-2-id-3-one is primarily used as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its benzothiazole structure makes it valuable for developing biocides, preservatives, and antimicrobial agents. The compound may also serve as a building block in the synthesis of more complex organic molecules in fine chemical manufacturing and research applications.
How to handle lithium 1,2-benzothiazol-2-id-3-one safely?
Lithium 1,2-benzothiazol-2-id-3-one requires strict safety measures due to its corrosive and sensitizing properties. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, and prevent inhalation of dust or vapors to minimize acute toxicity risks.
How to store lithium 1,2-benzothiazol-2-id-3-one correctly?
Lithium 1,2-benzothiazol-2-id-3-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, direct sunlight, and moisture to prevent degradation. Store separately from strong acids, bases, and oxidizing agents. Ensure proper labeling with hazard warnings and maintain inventory records for regulatory compliance.
What to do in case of contact with lithium 1,2-benzothiazol-2-id-3-one?
Immediate first aid for lithium 1,2-benzothiazol-2-id-3-one exposure includes removing contaminated clothing and rinsing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Due to its corrosive nature, seek medical attention promptly after any exposure. Do not induce vomiting if swallowed and contact poison control or emergency services immediately.
How to dispose of lithium 1,2-benzothiazol-2-id-3-one appropriately?
Lithium 1,2-benzothiazol-2-id-3-one waste must be disposed of through authorized hazardous waste management companies in accordance with local and European waste regulations. The substance cannot be disposed of in regular waste streams due to its corrosive properties and environmental classification. Contact certified waste disposal specialists who can handle corrosive chemicals and ensure proper treatment or incineration.
How to transport lithium 1,2-benzothiazol-2-id-3-one?
Lithium 1,2-benzothiazol-2-id-3-one is classified as ADR Class 8 (corrosive substances), Packing Group II, requiring specialized transport procedures. Packages must be properly labeled with corrosive hazard markings and transported by qualified carriers familiar with dangerous goods regulations. Proper documentation, including transport documents and safety data sheets, must accompany shipments to ensure regulatory compliance.
Is lithium 1,2-benzothiazol-2-id-3-one subject to specific regulations?
Lithium 1,2-benzothiazol-2-id-3-one is subject to European REACH and CLP regulations requiring registration, classification, and safety data sheets. While not currently listed as an SVHC substance, its corrosive and sensitizing properties mandate compliance with occupational safety standards and environmental protection measures. Users must ensure proper risk assessments and implement appropriate control measures as required by law.
Where to buy lithium 1,2-benzothiazol-2-id-3-one in Europe?
Lithium 1,2-benzothiazol-2-id-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and pharmaceutical companies across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for all shipments of this corrosive specialty chemical.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.