2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol

C18H15ClF3N3O2

CAS1417782-03-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
1417782-03-6
UN Number
3077
Index Number
613-331-00-6
PubChem CID
71230671

Physical-chemical properties

Molecular Formula
C18H15ClF3N3O2
Molar Mass
397.80 g/mol
IUPAC Name
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol

Chemical Identifiers

InChI
InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
InChI Key
JERZEQUMJNCPRJ-UHFFFAOYSA-N

Overview

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol (CAS 1417782-03-6) is a specialized organohalogen compound featuring triazole functionality and phenoxy structural elements. This complex organic molecule represents an advanced chemical intermediate characterized by its unique combination of chlorophenoxy, trifluoromethyl, and triazole moieties within a single molecular framework. With a molecular formula of C18H15ClF3N3O2 and molecular weight of 397.8 g/mol, this compound exhibits the structural complexity typical of modern pharmaceutical and agrochemical intermediates. The presence of the trifluoromethyl group significantly influences its chemical stability and biological activity profile, while the triazole ring system contributes to its potential therapeutic or agricultural applications. From a safety perspective, this substance requires careful handling protocols due to its classification as a skin sensitizer (Skin Sens. 1) and its acute and chronic aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The compound carries a Warning signal word and displays GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance requiring appropriate transport precautions. The compound's structural features suggest applications in pharmaceutical synthesis, particularly in the development of antifungal agents where triazole functionality is highly valued. Its complex aromatic system also makes it suitable for specialty chemical synthesis and advanced material applications. Unlike simpler compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, this molecule's multi-functional architecture enables more sophisticated synthetic transformations. OYSI maintains availability of this specialized compound to support European industrial and research applications requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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 NameMefentrifluconazol
Marine PollutantNo

Frequently Asked Questions

What is 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol is an organic chemical compound with molecular formula C18H15ClF3N3O2 and CAS number 1417782-03-6. This complex molecule contains chlorinated phenoxy, trifluoromethyl, and triazole functional groups, giving it a molecular weight of 397.8 g/mol. It is classified as hazardous due to its skin sensitizing properties and aquatic toxicity.

What are the physicochemical properties of 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?

This compound has a molecular weight of 397.8 g/mol and molecular formula C18H15ClF3N3O2. The presence of trifluoromethyl and chlorinated aromatic groups suggests it is likely a solid at room temperature with limited water solubility. The triazole ring and hydroxyl group may influence its polarity and stability. Specific physical properties such as melting point, boiling point, and exact solubility parameters would require detailed analytical characterization.

What is 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol used for?

This compound is typically used as a chemical intermediate or specialty chemical in pharmaceutical, agrochemical, or materials science applications. The presence of triazole, chlorophenoxy, and trifluoromethyl functional groups suggests potential use in developing biologically active compounds, fungicides, or advanced materials. Its complex structure makes it suitable for research and development purposes in specialized chemical synthesis and industrial applications requiring specific molecular properties.

How to handle 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. The compound is classified as Skin Sens. 1, indicating it can cause allergic skin reactions. Work in well-ventilated areas or under fume extraction systems. Avoid direct contact with skin and eyes. Use proper laboratory practices including regular hand washing and avoiding eating, drinking, or smoking in work areas.

How to store 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol properly?

Store this compound in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from incompatible materials and follow local regulations for hazardous chemical storage. Maintain proper labeling and inventory records for regulatory compliance.

What to do in case of contact with 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?

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, rinse immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its skin sensitizing properties, monitor for allergic reactions and seek medical advice if symptoms develop. Contact emergency services if severe reactions occur.

How to dispose of 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol appropriately?

Disposal must be conducted through licensed hazardous waste management companies due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Never dispose of this compound down drains or into the environment. Collect waste in appropriate containers, properly labeled with contents and hazard information. Follow local and national regulations for hazardous chemical waste disposal. Consider waste minimization strategies and potential recycling through specialized chemical recovery services where available.

How to transport 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?

This compound is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, indicating moderate transport hazard. Use appropriate UN-specification packaging designed for Class 9 materials. Ensure proper hazard labeling including Class 9 labels and environmental hazard markings due to its aquatic toxicity. Transport documentation must include proper shipping names, UN numbers, and emergency response information. Follow ADR regulations for loading, segregation, and vehicle requirements.

Is 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol subject to specific regulations?

This compound is subject to EU CLP regulation requiring classification as Skin Sens. 1, Aquatic Acute 1, and Aquatic Chronic 1 with Warning signal word and GHS07/GHS09 pictograms. It falls under REACH regulation requirements for registration, evaluation, and authorization. While not currently listed as SVHC (Substance of Very High Concern), its hazardous properties require compliance with occupational safety regulations and environmental protection measures. Regular regulatory monitoring is recommended for potential updates.

Where to buy 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional chemical distribution services across Europe. As experienced chemical suppliers, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for customers requiring this compound for research, development, or industrial applications. Contact OYSI directly for availability, specifications, and technical support to ensure you receive the appropriate grade and quality for your specific application requirements.

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2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol 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.