1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide

C19H14ClF5N4O2

CAS119126-15-7
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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Identification

CAS Number
119126-15-7
EC Number
411-750-7
UN Number
3077
Index Number
616-098-00-9
PubChem CID
86353

Physical-chemical properties

Molecular Formula
C19H14ClF5N4O2
Molar Mass
460.80 g/mol
IUPAC Name
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide

Chemical Identifiers

InChI
InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)
InChI Key
AOQMRUTZEYVDIL-UHFFFAOYSA-N

Overview

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide (CAS 119126-15-7) is a specialized triazole derivative with pentafluoropropyl functionality and chlorinated aromatic structure. This complex organofluorine compound represents an advanced example of heterocyclic chemistry, combining a 1,2,4-triazole core with highly fluorinated substituents and chlorinated aromatic systems. With a molecular formula of C19H14ClF5N4O2 and molecular weight of 460.8 g/mol, this substance exhibits unique physicochemical properties attributed to its pentafluoropropoxymethyl group and triazole ring system. The extensive fluorination contributes to exceptional chemical stability and distinctive interaction profiles, while the triazole moiety provides coordination capabilities and biological activity potential. The compound's safety profile is characterized by its Aquatic Chronic 2 hazard classification, requiring careful environmental consideration during handling and disposal. As indicated by the GHS09 pictogram, it poses risks to aquatic ecosystems and requires appropriate containment measures. Transport falls under ADR Class 9 (miscellaneous dangerous substances), necessitating specialized logistics protocols. Industrial applications typically center around specialized chemical synthesis, pharmaceutical intermediates, and advanced materials development. The compound's structural complexity makes it valuable in research applications requiring precise molecular interactions. Its fluorinated architecture shares characteristics with other specialized compounds like N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, which also finds use in advanced chemical applications, though with different structural motifs. As a European distributor of technical chemicals, OYSI provides reliable access to this specialized triazole compound for qualified industrial and research customers across Europe.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1-[4-Chlor-3-((2,2,3,3,3-pentafluorpropoxy)methyl)phenyl]-5-phenyl-1H-1,2,4-triazol-3-carboxamid
Marine PollutantNo

Frequently Asked Questions

What is 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide is a synthetic organic compound with the molecular formula C19H14ClF5N4O2 and CAS number 119126-15-7. This triazole-based chemical features a complex structure containing chlorine and fluorine substituents, with a molecular weight of 460.8 g/mol. It belongs to the family of substituted triazole compounds and is classified as having chronic aquatic toxicity properties.

What are the physicochemical properties of 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

This compound presents as a solid substance with a molecular weight of 460.8 g/mol and contains multiple halogen atoms (chlorine and five fluorine atoms). The presence of fluorinated groups typically imparts chemical stability and influences solubility characteristics. The triazole ring system and aromatic components contribute to its structural rigidity. Specific physical properties such as melting point, color, and detailed solubility data would require analytical characterization for precise determination.

What is 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide used for?

This compound is typically used in specialized chemical applications requiring fluorinated triazole derivatives. The complex structure with fluorinated side chains makes it suitable for pharmaceutical research, agrochemical development, or as an intermediate in fine chemical synthesis. The triazole moiety is commonly found in bioactive compounds, suggesting potential applications in drug discovery or crop protection research. Its specific uses depend on the intended industrial or research application.

How to safely handle 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

Safe handling requires standard laboratory protective equipment including safety glasses, chemical-resistant gloves, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hood extraction to prevent inhalation exposure. Avoid skin and eye contact, and prevent ingestion. Given its aquatic toxicity classification, special care must be taken to prevent environmental release. Use appropriate containment measures and follow good laboratory practices for handling organic chemicals.

How to properly store 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

Store this compound in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Storage should be in appropriate chemical storage areas with adequate ventilation. Given the fluorinated structure, store away from strong bases and incompatible materials. Maintain proper labeling and inventory records, and ensure storage conditions comply with local chemical storage regulations.

What to do in case of contact with 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

In case of skin contact, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention. Remove contaminated clothing and wash before reuse. Always consult the safety data sheet for specific first aid measures and seek professional medical advice when necessary.

How to properly dispose of 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

Disposal must comply with local, national, and EU waste regulations due to its Aquatic Chronic 2 classification. This compound cannot be disposed of in regular waste streams or sewage systems due to environmental concerns. Contact licensed chemical waste disposal companies for proper treatment and disposal. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Consider incineration at high temperatures in approved facilities as a potential disposal method.

How to transport 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide?

This compound is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it requires specific transport regulations. Packaging must comply with UN specifications for Class 9 materials. Transport documents must include proper shipping names, hazard classes, and emergency contact information. Use appropriate packaging that prevents leakage and environmental contamination. Follow ADR requirements for vehicle marking, driver training, and emergency procedures during transportation.

Is 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide subject to specific regulations?

This compound is subject to EU REACH regulation for chemical registration and evaluation, though it is not currently listed as a Substance of Very High Concern (SVHC). It falls under CLP regulation for classification and labeling due to its Aquatic Chronic 2 hazard classification, requiring GHS09 pictogram. Depending on quantities and uses, additional notifications or authorizations may be required. Users must comply with occupational safety regulations and environmental protection requirements.

Where to buy 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional chemical distribution services across Europe. As an established chemical supplier, OYSI can provide technical support, proper documentation, and regulatory compliance assistance. Contact OYSI directly to discuss availability, specifications, and delivery options for your specific requirements. Professional buyers can benefit from OYSI's expertise in handling specialized chemical products and ensuring proper regulatory compliance.

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1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide 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.