4-(1,3-benzothiazol-2-ylsulfanyl)morpholine

C11H12N2OS2

CAS102-77-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
102-77-2
EC Number
203-052-4
UN Number
3077
Index Number
613-113-00-0
PubChem CID
7619

Physical-chemical properties

Molecular Formula
C11H12N2OS2
Molar Mass
252.40 g/mol
IUPAC Name
4-(1,3-benzothiazol-2-ylsulfanyl)morpholine

Chemical Identifiers

InChI
InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
InChI Key
MHKLKWCYGIBEQF-UHFFFAOYSA-N

Overview

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine (CAS 102-77-2) is an organosulfur compound featuring a benzothiazole ring system linked to a morpholine moiety through a sulfur bridge. This heterocyclic compound combines the structural elements of benzothiazole and morpholine, creating a molecule with distinctive chemical properties that make it valuable in various industrial applications. The benzothiazole portion contributes aromatic stability and electron-withdrawing characteristics, while the morpholine ring provides basicity and solubility properties. With its molecular formula C11H12N2OS2 and molecular weight of 252.4 g/mol, this compound exhibits moderate molecular complexity typical of specialty chemical intermediates. From a safety perspective, 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine requires careful handling due to its classification as a skin and eye irritant, as well as a skin sensitizer. The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating potential health and environmental hazards. Its Aquatic Chronic 2 classification necessitates proper environmental precautions during use and disposal. The ADR Class 9 designation identifies it as a miscellaneous dangerous substance for transportation purposes. Industrial applications primarily include its use as a chemical intermediate in pharmaceutical synthesis and as a specialty reagent in organic chemistry. The compound finds particular utility in the development of biologically active molecules where the benzothiazole-morpholine combination provides specific pharmacological properties. Unlike simpler compounds such as triphenyl phosphite, this molecule offers unique reactivity patterns due to its dual heterocyclic structure. OYSI maintains reliable supply chains for 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Eye Irrit. 2; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Irritant

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

Irritant

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-(Morpholinothio)benzothiazol
Marine PollutantNo

Frequently Asked Questions

What is 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is an organic chemical compound with the molecular formula C11H12N2OS2 and CAS number 102-77-2. This substance combines a benzothiazole ring system with a morpholine group connected via a sulfur bridge, resulting in a molecular weight of 252.4 g/mol. It is classified as a hazardous substance requiring careful handling due to its irritant and sensitizing properties.

What are the physicochemical properties of 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is a solid organic compound with a molecular weight of 252.4 g/mol and molecular formula C11H12N2OS2. The compound contains both sulfur and nitrogen heteroatoms within its structure, featuring a benzothiazole ring connected to a morpholine moiety. Specific physical properties such as melting point, solubility, and appearance may vary depending on purity and should be confirmed with technical specifications.

What is 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine used for?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is primarily used as a rubber accelerator in the vulcanization process of rubber and elastomer compounds. This compound facilitates cross-linking reactions during rubber processing, improving the mechanical properties and durability of the final products. It finds applications in tire manufacturing, rubber goods production, and various industrial rubber applications where controlled vulcanization is required.

How to handle 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine safely?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine requires careful handling using appropriate personal protective equipment including gloves, safety goggles, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation when handling this substance as it may cause skin irritation, eye irritation, and skin sensitization. Avoid direct contact and inhalation, and wash hands thoroughly after handling. Follow GHS07 pictogram precautions for health hazards.

How to store 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine correctly?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Store away from heat sources, direct sunlight, and moisture to maintain product stability. Ensure storage areas are equipped with appropriate spill containment measures and restrict access to authorized personnel only.

What to do in case of contact with 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine?

In case of skin contact with 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine, immediately wash the affected area with plenty of soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if sensitization symptoms develop.

How to dispose of 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine appropriately?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine must be disposed of according to local, national, and European waste regulations as a hazardous chemical waste. Contact authorized waste management companies for proper disposal methods, which may include incineration at licensed facilities. Do not discharge into drains, water courses, or onto the ground due to its aquatic chronic toxicity classification. Maintain proper documentation for waste disposal tracking.

How to transport 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is classified as ADR Class 9 (miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations for road transport. Use UN-approved packaging and ensure proper hazard labels are displayed. Transport vehicles must comply with ADR requirements for Class 9 substances and carry appropriate emergency response information.

Is 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine subject to specific regulations?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is subject to REACH regulation requiring registration for import/manufacture in the EU above one tonne annually. It is classified under CLP regulation with hazard classes including Skin Irritant 2, Eye Irritant 2, Skin Sensitizer 1, and Aquatic Chronic 2. The substance is not currently listed as a SVHC (Substance of Very High Concern) but must comply with standard chemical safety requirements.

Where to buy 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine in Europe?

4-(1,3-benzothiazol-2-ylsulfanyl)morpholine is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides this rubber accelerator to various industries across Europe with proper technical support and regulatory documentation. Contact OYSI directly for pricing, availability, technical specifications, and delivery options to your specific location within Europe for your industrial applications.

Data Sources

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