1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
C19H14ClF5N4O2
Consulting for 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Our experts support you with application, dosage, and compliance.
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 notable fluorinated substituents and aquatic toxicity classification. This complex organic compound represents an advanced example of modern synthetic chemistry, featuring a distinctive 1,2,4-triazole core structure substituted with both chlorinated and highly fluorinated functional groups. The molecule's architecture includes a pentafluoropropoxymethyl side chain attached to a chlorinated phenyl ring, combined with a phenyl-substituted triazole ring bearing a carboxamide functionality. With a molecular formula of C19H14ClF5N4O2 and molecular weight of 460.8 g/mol, this compound demonstrates the sophisticated design principles employed in contemporary chemical manufacturing. The substance's primary safety consideration relates to its environmental impact, classified under Aquatic Chronic 2 hazard category and requiring GHS09 pictogram labeling. This classification indicates potential long-term adverse effects on aquatic organisms, necessitating careful handling protocols and appropriate waste management procedures. The compound falls under ADR Class 9 for transportation purposes, reflecting its miscellaneous dangerous substance status. Industrial applications typically leverage the compound's unique triazole structure and fluorinated characteristics, commonly found in specialty pharmaceutical intermediates, advanced materials synthesis, and precision chemical manufacturing processes. The presence of both electron-withdrawing fluorine atoms and the triazole heterocycle makes this compound valuable for applications requiring specific electronic properties, similar to how other complex aromatic compounds like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline serve specialized industrial roles. OYSI maintains technical-grade supplies of this specialized triazole derivative to support European industrial and research applications requiring high-purity fluorinated organic compounds.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1-[4-Chlor-3-((2,2,3,3,3-pentafluorpropoxy)methyl)phenyl]-5-phenyl-1H-1,2,4-triazol-3-carboxamid |
| Marine Pollutant | No |
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 complex organic compound with the molecular formula C19H14ClF5N4O2 and CAS number 119126-15-7. This chemical substance has a molecular weight of 460.8 g/mol and belongs to the triazole family of compounds. It contains multiple functional groups including chlorine, fluorine atoms, and a triazole ring system, which contribute to its specific chemical properties and potential applications in various industrial sectors.
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 is a solid organic substance with a molecular weight of 460.8 g/mol and molecular formula C19H14ClF5N4O2. The presence of multiple fluorine atoms and aromatic rings typically confers high chemical stability and low volatility. The compound contains both hydrophilic (carboxamide) and lipophilic (aromatic) portions, affecting its solubility characteristics. Its complex structure with chlorine and pentafluoropropoxy substituents influences its physical appearance and handling properties, though specific data on color, odor, and exact solubility parameters require experimental 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 primarily used as an intermediate in pharmaceutical and agrochemical synthesis due to its triazole structure and complex substituent pattern. The triazole ring system is commonly found in antifungal agents and other bioactive molecules. Its specific structural features, including the pentafluoropropoxy group and phenyl substituents, make it valuable for developing specialized chemical products. The compound may also serve as a building block for advanced materials research and fine chemical manufacturing, particularly in applications requiring high chemical stability and specific molecular interactions.
How to handle 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide safely?
Safe handling requires standard laboratory protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Although no specific signal word is assigned, the compound's classification as Aquatic Chronic 2 indicates potential environmental concerns. Avoid direct contact with skin and eyes, and prevent release into the environment. Use appropriate engineering controls, maintain good hygiene practices, and ensure personnel are trained in chemical handling procedures before working with this substance.
How to store 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide correctly?
Store this compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Given its complex organic structure, avoid storage near strong oxidizing agents, acids, or bases that might react with the triazole or carboxamide functional groups. Maintain proper inventory records and ensure storage areas are equipped with appropriate spill containment measures. Keep away from ignition sources and ensure storage facilities comply with local chemical storage regulations and fire safety requirements.
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 remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present and easily removable. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the Safety Data Sheet for specific first aid measures and contact emergency services if serious symptoms develop.
How to dispose of 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide properly?
Disposal must comply with local, national, and EU waste regulations due to its Aquatic Chronic 2 classification and GHS09 pictogram. The compound should never be released into the environment, sewers, or regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Consider incineration at authorized facilities capable of handling halogenated organic compounds. Maintain detailed waste disposal records and ensure disposal methods meet REACH and waste framework directive requirements. Empty containers should also be treated as hazardous waste unless properly cleaned and decontaminated.
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 as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it requires special transport considerations. Use UN-approved packaging suitable for Class 9 materials with appropriate labeling and documentation. Transport vehicles must carry proper placarding and emergency response information. Drivers need ADR training certification for dangerous goods transport. Ensure packages are properly secured to prevent damage during transit and avoid extreme temperatures. Documentation must include proper shipping names, UN numbers, and emergency contact information as required by international dangerous goods transport regulations.
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 REACH regulation requirements in Europe and must comply with CLP classification and labeling standards. It is classified as Aquatic Chronic 2 under CLP, requiring appropriate hazard communication and GHS09 environmental pictogram display. The substance is not currently listed as a Substance of Very High Concern (SVHC). Companies handling quantities above REACH thresholds must ensure proper registration and safety data sheet provision. Transport is regulated under ADR as Class 9, and environmental release restrictions apply due to its aquatic toxicity classification.
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 supply chain solutions across European markets. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for industrial and research customers. Our distribution network ensures efficient delivery while maintaining product quality and regulatory requirements. Contact OYSI directly for availability, technical specifications, and pricing information. We support various industries requiring this compound for pharmaceutical intermediates, research applications, and specialized chemical synthesis projects throughout Europe.
Services for 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Order 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Technical Consulting
Application advice for 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for 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 dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.