1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole

C13H11Cl2F4N3O

CAS112281-77-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 high chemical stability. This specialized triazole derivative represents a sophisticated class of heterocyclic compounds characterized by its unique combination of halogenated aromatic and fluorinated ether functionalities. The molecular structure incorporates a dichlorophenyl moiety linked to a triazole ring system through a tetrafluoroethoxy-substituted propyl chain, resulting in a compound with distinctive physicochemical properties. With a molecular weight of 372.14 g/mol and the molecular formula C13H11Cl2F4N3O, this substance exhibits enhanced lipophilicity and metabolic stability due to its fluorine content. The compound's safety profile requires careful handling, as indicated by its classification under Acute Toxicity Category 4 and Aquatic Chronic toxicity Category 2. The GHS07 and GHS09 pictograms signal both health hazards and environmental concerns, necessitating appropriate personal protective equipment and waste management protocols. Transport falls under ADR Class 9 (miscellaneous dangerous substances), requiring specialized logistics considerations. Industrial applications primarily focus on pharmaceutical intermediates and agrochemical synthesis, where the compound's structural features provide valuable building blocks for active ingredient development. The triazole core structure shares chemical similarities with other specialized intermediates, though compounds like 3,5-dichloro-2,6-difluoropyridin-4-amine represent different heterocyclic approaches to fluorinated pharmaceutical chemistry. Additional applications include research and development in materials science and specialty chemical manufacturing. OYSI maintains reliable supply chains for this technical-grade compound, supporting European industrial customers with comprehensive documentation and regulatory compliance.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H302

Harmful if swallowed.

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

Inhalation

Harmful

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

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameTetraconazol (ISO)
Marine PollutantNo

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 chemical compound has a molecular weight of 372.14 g/mol and belongs to the triazole family, characterized by its dichlorophenyl and tetrafluoroethoxy functional groups. It is classified as moderately hazardous with Acute Toxicity Category 4 and chronic aquatic toxicity properties.

What are the physicochemical properties of 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 complex organic molecule with a molecular weight of 372.14 g/mol. The presence of multiple fluorine atoms and chlorine substituents influences its physicochemical behavior, typically resulting in enhanced chemical stability and specific solubility characteristics. The compound contains both hydrophobic aromatic rings and polar triazole functionality, affecting its interaction with various solvents and biological systems.

What is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole used for?

1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole is primarily used as a chemical intermediate and research compound in pharmaceutical and agrochemical industries. Its triazole structure makes it valuable for developing antifungal agents and other bioactive compounds. The specific combination of halogenated substituents provides unique properties for specialized applications in organic synthesis and medicinal chemistry research, particularly in the development of fluorinated pharmaceuticals.

How to safely handle 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Toxicity Category 4 classification. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling. Emergency eyewash stations and safety showers should be readily accessible in work areas.

How to properly store 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?

Proper storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Storage areas should be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Containers should be properly labeled with hazard information and stored according to local chemical storage regulations. Temperature and humidity control help maintain product stability and prevent degradation of the fluorinated functional groups.

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 action is required for any exposure due to its acute toxicity classification. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, providing the safety data sheet to healthcare providers.

How to properly dispose of 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?

Disposal must comply with local, national, and international environmental regulations due to its Aquatic Chronic 2 classification. The compound should never be discharged into waterways or sewage systems. Waste should be collected in appropriate containers and disposed of through licensed hazardous waste management facilities. Incineration at authorized facilities capable of handling halogenated compounds is typically the preferred disposal method. Contact local environmental authorities for specific disposal requirements.

How to transport 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole?

Transportation is regulated under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate danger during transport. Packages must comply with UN packaging requirements and be properly labeled with appropriate hazard markings and documentation. Vehicles should carry emergency response information and drivers must be trained in hazardous materials handling. Transport containers must be secure, leak-proof, and designed to prevent environmental release during normal transport conditions.

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 European REACH regulation requiring registration for manufacture or import above tonnage thresholds. It is not currently listed as a Substance of Very High Concern (SVHC). CLP regulation governs its classification and labeling requirements, mandating GHS07 and GHS09 pictograms with 'Warning' signal word. Additional restrictions may apply depending on intended use, and compliance with national chemical control laws is required in each EU member state.

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 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole, offering quality chemical products to industrial and research customers across Europe. As a specialized chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory compliance documentation to meet your specific application requirements.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.