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 compound with acetamide functionality and molecular weight 363.33 g/mol. This specialized chemical compound represents a complex heterocyclic molecule containing both fluorine substituents and a thiadiazole ring system, characteristics that contribute to its unique chemical properties and industrial applications. The molecular formula C14H13F4N3O2S reveals the presence of four fluorine atoms, which significantly influence the compound's stability, lipophilicity, and biological activity profile. The thiadiazole moiety, combined with the fluorophenyl group, creates a versatile chemical scaffold commonly utilized in pharmaceutical and agrochemical research. From a safety perspective, this substance requires careful handling protocols due to its classification as Acute Tox. 4, STOT RE 2, and Skin Sens. 1, along with aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1). The Warning signal word and associated GHS pictogrammes GHS07, GHS08, and GHS09 indicate potential health hazards and environmental risks. Proper personal protective equipment and containment measures are essential during handling and storage operations. Industrial applications typically include pharmaceutical intermediate synthesis, agrochemical development, and specialized research applications where fluorinated heterocycles are required. The compound shares structural similarities with other specialized chemicals such as prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate, which also features halogenated aromatic systems for similar technical applications. The unique combination of functional groups makes it particularly valuable for developing compounds with enhanced metabolic stability and specific biological activity profiles. OYSI maintains reliable supply capabilities for this technical chemical compound to support European industrial and research requirements.

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 an organofluorine compound with CAS number 142459-58-3. This chemical substance has a molecular formula of C14H13F4N3O2S and a molecular weight of 363.33 g/mol. It contains fluorine atoms, a thiadiazole ring, and an acetamide group, making it a complex heterocyclic compound with specific chemical properties for industrial applications.

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 a solid compound at room temperature with a molecular weight of 363.33 g/mol. The presence of multiple fluorine atoms and the thiadiazole ring structure influence its solubility characteristics and stability. The compound's physicochemical properties are determined by its complex molecular structure containing both hydrophobic fluorinated groups and polar functional groups.

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 used as an intermediate in chemical synthesis and pharmaceutical research. Its unique molecular structure, containing fluorinated groups and a thiadiazole ring, makes it valuable for developing specialized chemical products. The compound serves in industrial applications requiring specific chemical properties derived from its complex heterocyclic structure.

How to safely handle 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 requires careful handling due to its classification as Acute Tox. 4, STOT RE 2, and Skin Sens. 1. Use appropriate personal protective equipment including gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods. Avoid skin contact and inhalation, as the substance may cause sensitization and repeated exposure effects.

How to properly store 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 should be stored in a cool, dry place away from heat sources and direct sunlight. Keep containers tightly closed and properly labeled according to GHS requirements with Warning signal word and appropriate pictograms (GHS07, GHS08, GHS09). Store separately from incompatible materials and ensure adequate ventilation in storage areas to prevent accumulation of vapors.

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 action is required upon contact with N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide due to its skin sensitization properties. For skin contact, wash immediately with plenty of water and soap. In case of eye contact, rinse thoroughly with water for several minutes. If inhaled, move to fresh air immediately. Remove contaminated clothing and seek medical attention if symptoms develop or persist.

How to properly dispose 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 must be disposed of as hazardous waste due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Contact authorized waste disposal companies licensed to handle chemical waste. Never discharge into drains, soil, or water bodies. Package waste securely in appropriate containers, properly labeled, and follow local and national regulations for hazardous waste management.

How to transport 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 classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transport requires appropriate packaging meeting UN specifications and proper shipping documentation. Vehicles must carry appropriate safety equipment and drivers need ADR training. Ensure packages are properly labeled with hazard markings and follow international transport regulations for dangerous goods.

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

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is subject to REACH regulation in Europe and must comply with CLP classification requirements. The substance is classified under multiple hazard categories requiring appropriate safety data sheets, labeling with Warning signal word, and specific pictograms (GHS07, GHS08, GHS09). It is not currently listed as an SVHC substance but requires registration for commercial use above tonnage thresholds.

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

N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is available through OYSI, a specialized European distributor of chemical products. OYSI provides this substance with complete regulatory documentation, safety data sheets, and proper packaging meeting European standards. As an established chemical distributor, OYSI ensures compliance with REACH regulations and provides technical support for safe handling and application guidance.

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

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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.