1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
C13H11Cl2F4N3O
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Identification
- CAS Number
- 112281-77-3
- EC Number
- 407-760-6
- UN Number
- 3082
- Index Number
- 613-174-00-3
- PubChem CID
- 80277
Physical-chemical properties
- Molecular Formula
- C13H11Cl2F4N3O
- Molar Mass
- 372.14 g/mol
- IUPAC Name
- 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
Chemical Identifiers
- InChI
- InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
- InChI Key
- LQDARGUHUSPFNL-UHFFFAOYSA-N
Overview
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole (CAS 112281-77-3) is an organofluorine triazole compound with antifungal properties and specialized industrial applications. This sophisticated chemical compound represents a unique combination of triazole functionality with dichlorophenyl and tetrafluoroethoxy substituents, creating a molecule with distinctive properties for specialized applications. The compound's molecular structure features a 1,2,4-triazole ring system, which is characteristic of many biologically active compounds, particularly those used in pharmaceutical and agricultural sectors. The presence of both chlorine atoms on the phenyl ring and the tetrafluoroethoxy group contributes to its chemical stability and lipophilic characteristics. From a safety perspective, this compound carries an ADR Class 9 classification and displays GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns. The substance is classified as Acute Tox. 4 with a "Warning" signal word, requiring appropriate handling protocols and personal protective equipment during use. Its Aquatic Chronic 2 classification necessitates careful environmental management to prevent water contamination. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, particularly in the development of antifungal agents, and as a specialized reagent in organic synthesis processes. The compound may also find applications in materials science where fluorinated compounds are valued for their unique surface properties. While structurally distinct from simpler compounds like 3-aminophenol, it shares the complexity found in other specialized industrial intermediates that require precise handling and storage conditions. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers requiring high-purity chemical intermediates for their manufacturing processes.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Ingestion
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 Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Tetraconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole is an organofluorine compound with the molecular formula C13H11Cl2F4N3O and CAS number 112281-77-3. This triazole derivative contains both chlorinated phenyl and tetrafluoroethoxy functional groups, giving it a molecular weight of 372.14 g/mol. It is classified as moderately toxic and poses chronic aquatic hazards, requiring careful handling and environmental considerations.
What are the physicochemical properties of 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?
The compound exhibits typical properties of halogenated organic molecules with its molecular formula C13H11Cl2F4N3O and molecular weight of 372.14 g/mol. The presence of multiple fluorine atoms and chlorine substituents significantly influences its physical characteristics, including polarity and stability. The triazole ring system contributes to its chemical reactivity. Specific data on melting point, boiling point, and solubility would require experimental determination or supplier specifications.
What is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole used for?
This compound is primarily used as an intermediate in pharmaceutical and agrochemical synthesis due to its triazole ring structure and halogenated substituents. The unique combination of dichlorophenyl and tetrafluoroethoxy groups makes it valuable for developing specialized chemical products. Its molecular structure suggests potential applications in research and development of biologically active compounds, particularly where fluorinated triazole derivatives are required for specific chemical transformations.
How to handle 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 classification. Work should be conducted in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid direct skin and eye contact, and ensure proper hand washing after handling. The Warning signal word indicates moderate hazard level, but standard chemical safety protocols must be followed at all times.
How to store 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole correctly?
Proper storage requires keeping the compound in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Containers should be tightly sealed and properly labeled with hazard information. Given its Aquatic Chronic 2 classification, storage areas must have appropriate spill containment measures to prevent environmental release. Store away from oxidizing agents and follow standard chemical storage segregation principles for halogenated organic compounds.
What to do in case of contact with 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?
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 immediately and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical advice. Due to its Acute Tox. 4 classification, prompt medical evaluation is recommended for any significant exposure incident.
How to dispose of 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole properly?
Disposal must comply with local and national hazardous waste regulations due to its toxicity and aquatic hazard classification. The compound should be treated as hazardous chemical waste and disposed of through licensed waste management facilities. Incineration at appropriate high temperatures may be suitable, but thermal destruction must account for potential formation of toxic combustion products. Never discharge to sewers or the environment due to its Aquatic Chronic 2 classification.
How to transport 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?
Transportation falls under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate transport hazard. Appropriate UN-specification packaging must be used with proper hazard labels and documentation. Vehicles must carry appropriate emergency equipment and drivers require ADR training. The shipment must be accompanied by transport documents specifying the proper shipping name, UN number, and emergency response information according to dangerous goods regulations.
Is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole subject to specific regulations?
The compound is subject to CLP regulation with mandatory classification as Acute Tox. 4 and Aquatic Chronic 2, requiring appropriate labeling with GHS07 and GHS09 pictograms. Under REACH regulation, it requires registration for manufacture or import above one tonne per year. It is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits and environmental protection measures according to national implementations of EU chemical legislation.
Where to buy 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering supply to industrial and research customers across Europe. As an established chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. The compound's specialized nature typically requires advance ordering and specific handling protocols. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location within Europe.
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ADR Consulting for 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole 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.