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
Warning

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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 thiazolidine derivative with fluorinated substituents and aromatic groups. This complex heterocyclic compound represents an advanced specialty chemical featuring a unique thiazolidine ring structure with multiple nitrogen functionalities and trifluoromethyl groups. The molecular formula C17H10F6N4S indicates a highly fluorinated aromatic compound with a molecular weight of 416.3 g/mol. The presence of both diphenyl and bis(trifluoromethyl) substituents imparts distinctive chemical properties, making it valuable for specific industrial applications requiring fluorinated intermediates. From a safety perspective, this substance is classified with moderate hazard profiles including eye irritation (Eye Irrit. 2) and aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1), requiring appropriate handling precautions in industrial settings. The GHS07 and GHS09 pictograms with "Warning" signal word indicate the need for standard protective equipment and environmental considerations during use and storage. The compound's structural complexity, particularly its trifluoromethyl functionality, positions it within the broader category of fluorinated specialty chemicals, which also includes related compounds such as N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline used in agricultural applications. Primary industrial applications include use as an advanced synthetic intermediate in pharmaceutical chemistry, specialty polymer development, and high-performance materials research where fluorinated aromatic compounds provide enhanced thermal stability and unique electronic properties. OYSI maintains strategic inventory of this specialized chemical to support European research institutions and industrial manufacturers requiring high-purity 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 a synthetic organic compound with the molecular formula C17H10F6N4S and CAS number 37893-02-0. This complex heterocyclic molecule features a thiazolidine ring system substituted with phenyl groups and trifluoromethyl substituents. With a molecular weight of 416.3 g/mol, it belongs to the class of fluorinated nitrogen-containing compounds and is classified as hazardous to eyes and aquatic environments.

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 trifluoromethyl groups typically imparts chemical stability and lipophilicity to the molecule. The compound contains both aromatic phenyl rings and electronegative fluorine atoms, which influence its physical properties such as melting point, solubility, and chemical reactivity. Specific data regarding color, odor, and exact solubility parameters require analytical characterization.

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 is primarily used as a research chemical and intermediate in organic synthesis. Its unique structure containing trifluoromethyl groups and thiazolidine core makes it valuable for pharmaceutical research, agrochemical development, and materials science applications. The compound may serve as a building block for more complex molecules or as a reference standard in analytical chemistry. Its specific applications depend on the research objectives and the compound's biological or chemical activity profiles.

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 Irritant 2 classification. Essential personal protective equipment includes safety goggles or face shield, chemical-resistant gloves, and laboratory coat. Work in a well-ventilated area or under a fume hood to minimize exposure. Avoid direct contact with skin and eyes, and prevent inhalation of dust or vapors. Use appropriate tools for weighing and transferring the material, 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 correctly?

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 heat sources and direct sunlight. Keep the container tightly closed and properly labeled. Store separately from incompatible materials and oxidizing agents. Due to its aquatic toxicity classification, ensure storage areas have appropriate spill containment measures. The compound should be kept in its original packaging or chemically compatible containers, and access should be restricted to authorized personnel only.

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?

Immediate first aid measures for 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine contact include: Eye contact - rinse immediately with plenty of water for at least 15 minutes and seek medical attention due to its eye irritant properties. Skin contact - wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse. Always consult a physician if symptoms persist or worsen.

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 disposal requires special attention due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). The compound must be disposed of through authorized hazardous waste disposal facilities in accordance with local, national, and EU regulations. Never discharge into water systems, soil, or regular waste streams. Contact licensed waste management companies for proper collection and treatment. Contaminated packaging should also be treated as hazardous waste. Maintain disposal records as required by regulations.

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. Transport requires appropriate UN specification packaging marked and labeled according to ADR regulations. Shipping documentation must include proper shipping names, hazard labels, and emergency response information. Vehicles must carry appropriate placards and emergency equipment. Drivers require ADR training certification. The compound should be secured to prevent movement during transport and protected from temperature extremes and moisture.

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 subject to REACH regulation requirements for registration, evaluation, and authorization within the EU. The compound is not currently listed as a Substance of Very High Concern (SVHC). It falls under CLP regulation for classification, labeling, and packaging as Eye Irritant 2 and aquatic hazard categories. Users must comply with safety data sheet requirements, proper labeling with GHS07 and GHS09 pictograms, and appropriate risk management measures. Transport is regulated under ADR Class 9 requirements.

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 high-quality chemical substances to research institutions, pharmaceutical companies, and industrial customers across Europe. As an authorized distributor, OYSI ensures compliance with European regulations including REACH and CLP requirements. The company provides complete documentation including safety data sheets, certificates of analysis, and proper hazard classification information. Contact OYSI directly for availability, specifications, and quotations for this specialized chemical compound.

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Data Sources

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