Lithium 1,2-benzothiazol-2-id-3-one

C7H4LiNOS

lithium 1,2-benzothiazol-2-id-3-one

CAS111337-53-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 biocidal properties used in industrial preservation applications. This specialized lithium salt belongs to the benzothiazole family of heterocyclic compounds, featuring a distinctive benzothiazole ring system combined with lithium as the counterion. With its molecular formula C7H4LiNOS and molecular weight of 157.1 g/mol, this compound exhibits unique chemical properties that make it valuable for specific industrial applications requiring effective microbial control. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity, skin corrosion, and skin sensitization. Its classification as Skin Corr. 1B indicates severe skin corrosive properties, while the Skin Sens. 1 designation highlights potential allergenic effects. The presence of GHS pictograms GHS05, GHS07, and GHS09 reflects its corrosive nature, health hazards, and environmental concerns respectively. Transport classification under ADR Class 8 confirms its corrosive properties for shipping purposes. Primary industrial applications include use as a biocide in metalworking fluids, where its antimicrobial properties help prevent bacterial and fungal contamination that can degrade fluid performance. It also finds application in certain coating formulations and as a preservative in industrial water treatment systems. The compound shares functional similarities with other antimicrobial agents like sodium 5-butylbenzotriazol-1-ide, methanesulfonate, though each offers distinct performance characteristics for specific applications. Due to its specialized nature and safety profile, proper handling procedures, adequate ventilation, and appropriate personal protective equipment are essential when working with this material. OYSI maintains reliable supply chains for lithium 1,2-benzothiazol-2-id-3-one to support European industrial customers requiring consistent access to this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

H411

Toxic to aquatic life with long lasting effects.

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

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

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

Harmful

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 Number3263
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping NameLithium-3-oxobenzo[d]isothiazol-2-id
Marine PollutantNo

Frequently Asked Questions

What is lithium 1,2-benzothiazol-2-id-3-one?

Lithium 1,2-benzothiazol-2-id-3-one is an organolithium chemical compound with the molecular formula C7H4LiNOS and CAS number 111337-53-2. This substance has a molecular weight of 157.1 g/mol and belongs to the benzothiazole derivative family. It is classified as a hazardous chemical with corrosive and sensitizing properties, 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 compound with a molecular mass of 157.1 g/mol and the molecular formula C7H4LiNOS. As an organolithium salt, it typically appears as a crystalline powder. The compound contains lithium, nitrogen, oxygen, and sulfur atoms within a benzothiazole ring structure, which influences its chemical reactivity and stability properties.

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 chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its benzothiazole structure makes it valuable for developing biocides, preservatives, and specialty chemicals. The compound serves as a building block in the production of various organic compounds and may be utilized in research applications requiring specific lithium-containing reagents.

How to handle lithium 1,2-benzothiazol-2-id-3-one safely?

Lithium 1,2-benzothiazol-2-id-3-one requires careful handling due to its corrosive and sensitizing properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or use local exhaust ventilation. Avoid inhalation and direct contact, as the substance can cause skin corrosion and sensitization reactions.

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, and well-ventilated area away from heat sources and incompatible materials. Keep containers upright and protected from moisture to prevent degradation. Store separately from acids, bases, and oxidizing agents. Ensure storage areas have appropriate spill containment measures and restrict access to authorized personnel only.

What to do in case of contact with lithium 1,2-benzothiazol-2-id-3-one?

Immediate action is required if contact occurs with lithium 1,2-benzothiazol-2-id-3-one. For skin contact, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. In case of eye contact, flush thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air. Due to its corrosive properties, prompt medical evaluation is recommended for all exposure incidents.

How to dispose of lithium 1,2-benzothiazol-2-id-3-one appropriately?

Lithium 1,2-benzothiazol-2-id-3-one must be disposed of as hazardous waste through licensed waste management companies in accordance with local and European regulations. The substance cannot be disposed of in regular waste streams due to its classification and environmental hazard properties. Ensure proper characterization, packaging, and documentation before disposal. Consult local authorities for specific disposal requirements and authorized treatment facilities.

How to transport lithium 1,2-benzothiazol-2-id-3-one?

Lithium 1,2-benzothiazol-2-id-3-one is classified under ADR Class 8 (corrosive substances), Packing Group II, requiring specific transport regulations. The substance must be packed in UN-approved packaging suitable for corrosive materials and properly labeled with appropriate hazard placards. Transport documentation must include proper shipping names, hazard classes, and emergency response information. Only authorized carriers experienced in hazardous materials transport should handle shipments.

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 due to its hazardous classification. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, hazard communication standards, and occupational exposure limits. Registration and authorization requirements may apply depending on quantities used and specific applications within the European market.

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 reliable supply chains for industrial customers across Europe, ensuring compliance with European chemical regulations including REACH and CLP. As a professional chemical distributor, OYSI offers technical support, proper documentation, and quality assurance for industrial applications requiring this specialized organolithium compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.