2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine

C17H10F6N4S

CAS37893-02-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
37893-02-0
EC Number
253-703-1
UN Number
3077
Index Number
613-118-00-8
PubChem CID
91625

Physical-chemical properties

Molecular Formula
C17H10F6N4S
Molar Mass
416.30 g/mol
IUPAC Name
2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine

Chemical Identifiers

InChI
InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H
InChI Key
IZFZCMFMJKDHJZ-UHFFFAOYSA-N

Overview

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine (CAS 37893-02-0) is a specialized fluorinated thiazolidine derivative with unique chemical properties and industrial applications. This complex heterocyclic compound features a distinctive molecular structure combining a thiazolidine ring with multiple nitrogen substituents, including diphenyl groups and bis(trifluoromethyl) moieties. With a molecular formula of C17H10F6N4S and a molecular weight of 416.3 g/mol, this substance belongs to the family of fluorinated organic compounds that exhibit enhanced chemical stability and specific reactivity patterns. The presence of trifluoromethyl groups significantly influences its physical and chemical characteristics, similar to other fluorinated compounds like N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline, which also demonstrates the impact of fluorine substitution on molecular behavior. From a safety perspective, this compound is classified with moderate hazard properties, displaying eye irritation potential (Eye Irrit. 2) and aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate the need for careful handling procedures and environmental protection measures. As a Class 9 ADR substance, it requires appropriate transportation protocols to ensure safe logistics. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and advanced material development. The compound's unique structure makes it valuable in research and development activities where specific molecular properties are required. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality fluorinated intermediates.

Safety & Classification

Warning
Classification:

Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H319

Causes serious eye irritation.

H400

Very toxic to aquatic life.

H410

Very 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

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 NameFlubenzimin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is an organofluorine compound with the molecular formula C17H10F6N4S and CAS number 37893-02-0. This synthetic chemical features a thiazolidine ring structure substituted with phenyl groups and trifluoromethyl moieties. With a molecular weight of 416.3 g/mol, it belongs to the class of heterocyclic compounds containing sulfur and nitrogen atoms, making it valuable for specialized chemical applications.

What are the physicochemical properties of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is a solid compound at room temperature with a molecular weight of 416.3 g/mol. The presence of multiple trifluoromethyl groups significantly influences its chemical stability and lipophilicity. The compound's aromatic phenyl substituents and heterocyclic structure contribute to its distinctive chemical behavior. Due to the fluorinated nature of the molecule, it typically exhibits low solubility in water but may show better solubility in organic solvents.

What is 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine used for?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine serves as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique trifluoromethyl-substituted thiazolidine structure makes it valuable for developing bioactive compounds and materials science applications. The compound's fluorinated characteristics are particularly useful in medicinal chemistry for enhancing metabolic stability and bioavailability of drug candidates. It may also find applications in the synthesis of specialty polymers and advanced materials.

How to handle 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine safely?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine requires careful handling due to its eye irritation potential (Eye Irrit. 2 classification). Always wear safety goggles, protective gloves, and appropriate clothing when handling this substance. Ensure adequate ventilation in work areas and avoid generating dust or aerosols. Use the compound in a well-ventilated area or under a fume hood. Keep containers tightly closed when not in use and wash hands thoroughly after handling.

How to store 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine properly?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep the substance in tightly sealed original containers to prevent moisture absorption and contamination. Store away from incompatible materials and ensure proper labeling with hazard information. Maintain storage areas with appropriate fire protection systems and limit access to authorized personnel only. Regular inspection of storage conditions helps maintain product integrity.

What to do in case of contact with 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?

Eye contact with 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine requires immediate flushing with plenty of clean water for at least 15 minutes, removing contact lenses if easily removable. For skin contact, wash immediately with soap and water. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, rinse mouth with water and seek immediate medical advice. Always consult a physician if irritation persists and have the safety data sheet available for medical personnel.

How to dispose of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine properly?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine must be disposed of according to local, regional, and national waste regulations due to its aquatic toxicity classification. The substance requires professional hazardous waste management through licensed disposal facilities. Never discharge into drains, soil, or water bodies as it poses risks to aquatic environments (Aquatic Acute 1, Aquatic Chronic 1). Collect waste in appropriate labeled containers and arrange collection by authorized waste management companies for proper treatment or incineration.

How to transport 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Transport must comply with ADR/RID for road/rail transport and IMDG for sea transport. Proper shipping names, hazard labels, and transport documents are mandatory. Only authorized carriers trained in dangerous goods transport should handle shipments of this substance.

Is 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine subject to specific regulations?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is not classified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it must comply with standard REACH registration requirements and CLP classification as Eye Irritant Category 2 and Aquatic toxicity Categories 1. The substance requires appropriate safety data sheets, hazard communication, and risk management measures. Companies handling this chemical must ensure compliance with workplace safety regulations and environmental protection requirements across EU member states.

Where to buy 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine in Europe?

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains and technical support for industrial and research customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for product availability, technical specifications, and regulatory documentation to support your specific application requirements.

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2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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