N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide

C14H13F4N3O2S

CAS142459-58-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
142459-58-3
UN Number
3077
Index Number
613-164-00-9
PubChem CID
86429

Physical-chemical properties

Molecular Formula
C14H13F4N3O2S
Molar Mass
363.33 g/mol
IUPAC Name
N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide

Chemical Identifiers

InChI
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
InChI Key
IANUJLZYFUDJIH-UHFFFAOYSA-N

Overview

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide (CAS 142459-58-3) is a fluorinated thiadiazole derivative with pesticidal and biological activity properties. This specialized chemical compound belongs to the thiadiazole family, characterized by its unique heterocyclic structure containing sulfur and nitrogen atoms. With a molecular formula of C14H13F4N3O2S and molecular weight of 363.33 g/mol, this fluorinated acetamide derivative exhibits distinct chemical properties due to the presence of multiple fluorine substituents, including a trifluoromethyl group attached to the thiadiazole ring and a fluorinated phenyl moiety. The compound presents significant safety considerations, classified under ADR Class 9 with multiple hazard classifications including acute toxicity, skin sensitization, and aquatic toxicity. The Warning signal word and associated GHS pictograms (GHS07, GHS08, GHS09) indicate the need for proper handling protocols and personal protective equipment during industrial use. Its classification as both acute and chronic aquatic toxicant requires careful environmental management. Structurally related to other agricultural chemicals like prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate, this thiadiazole derivative finds primary applications in crop protection formulations, pharmaceutical intermediate synthesis, and specialized chemical research. The compound's fluorinated structure enhances its biological activity and metabolic stability, making it valuable in agrochemical development and fine chemical manufacturing processes. Industrial applications typically involve its use as an active ingredient in pesticide formulations and as a building block for more complex molecules in pharmaceutical synthesis. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality thiadiazole derivatives.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; STOT RE 2 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

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

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFlufenacet (ISO)
Marine PollutantNo

Frequently Asked Questions

What is N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is a synthetic organic compound with the molecular formula C14H13F4N3O2S and CAS number 142459-58-3. This fluorinated thiadiazole derivative has a molecular weight of 363.33 g/mol and contains multiple functional groups including fluorophenyl, isopropyl, and trifluoromethyl groups. It is classified as a hazardous substance requiring careful handling due to its toxicological properties.

What are the physicochemical properties of N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is an organic solid compound with a molecular mass of 363.33 g/mol. The presence of multiple fluorine atoms and the thiadiazole ring system influences its chemical stability and solubility characteristics. As a fluorinated compound, it typically exhibits low volatility and specific solubility patterns. The compound's physical appearance and exact solubility parameters would depend on purity and crystalline form.

What is N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide used for?

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is primarily used in specialized chemical synthesis and research applications. Its complex molecular structure containing fluorinated aromatic and heterocyclic components makes it valuable as an intermediate in pharmaceutical research, agrochemical development, or as a building block for more complex molecular structures. The compound's specific applications depend on its unique chemical reactivity profile and biological activity characteristics.

How to handle N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing due to its skin sensitization potential and acute toxicity classification. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Use proper chemical handling techniques, ensure adequate ventilation, and have emergency procedures in place. Personnel should be trained in hazardous chemical handling procedures before working with this substance.

How to store N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide correctly?

Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. The compound should be kept in tightly sealed, properly labeled containers made of compatible materials. Storage areas should be equipped with appropriate containment systems and emergency equipment. Due to its environmental hazard classification, prevent release to the environment. Implement proper inventory management and ensure storage complies with local regulations for hazardous chemicals.

What to do in case of contact with N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?

Immediate first aid measures include removing contaminated clothing and flushing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Due to the compound's skin sensitization and acute toxicity properties, all exposures should be treated seriously. Always seek professional medical advice and provide the safety data sheet to medical personnel for proper treatment guidance.

How to dispose of N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide appropriately?

Disposal must be conducted through licensed hazardous waste management facilities due to the compound's environmental and health hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems due to its aquatic toxicity. Waste should be properly containerized, labeled, and documented according to local hazardous waste regulations. Incineration at approved high-temperature facilities may be appropriate, but disposal methods must comply with environmental protection requirements and local waste management regulations.

How to transport N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?

Transportation is regulated under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it presents moderate danger during transport. Proper shipping documentation, labeling, and packaging according to UN specifications are required. Packages must bear appropriate hazard labels and markings. Transport vehicles should carry emergency response information, and drivers must be trained in hazardous materials transport procedures. Shipments must comply with international dangerous goods regulations for road, rail, sea, or air transport.

Is N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide subject to specific regulations?

The compound is regulated under European REACH and CLP regulations due to its hazard classification, requiring safety data sheets and proper classification labeling. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with standard chemical registration requirements. The substance's environmental hazard classification may trigger additional reporting requirements. Companies handling this chemical must ensure compliance with occupational health regulations, environmental protection laws, and chemical safety assessment requirements under applicable European legislation.

Where to buy N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide in Europe?

OYSI is a specialized European distributor offering N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide for professional and industrial applications. As an established chemical supplier, OYSI provides properly documented, compliant chemical products with appropriate safety documentation and regulatory compliance. The compound is available for qualified customers with legitimate research or industrial applications. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for your specific application.

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N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide 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.