2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
C18H15ClF3N3O2
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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 an organofluorine compound featuring triazole and chlorophenoxy functional groups with specialized chemical properties. This complex organic molecule represents a sophisticated example of multi-functional chemical design, incorporating several key structural elements that contribute to its unique properties. The compound features a trifluoromethyl group, which typically enhances chemical stability and bioactivity, combined with a triazole ring system known for its versatility in pharmaceutical and agrochemical applications. The chlorophenoxy moiety adds further functional diversity, making this compound particularly interesting for specialized industrial uses. With a molecular formula of C18H15ClF3N3O2 and molecular weight of 397.8 g/mol, this substance exhibits moderate molecular complexity. The presence of multiple heteroatoms (nitrogen, oxygen, fluorine, and chlorine) within its structure suggests potential for diverse intermolecular interactions and specific binding properties. Unlike simpler compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, this molecule's multi-ring system provides enhanced structural rigidity and potential selectivity in applications. Safety considerations are paramount when handling this material, as it is classified under ADR Class 9 with GHS07 and GHS09 pictograms. The compound presents skin sensitization risks (Skin Sens. 1) and significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1), requiring appropriate protective measures and environmental precautions during use and disposal. Industrial applications typically focus on specialized synthesis processes where the compound's unique structural features provide specific advantages in chemical transformations or as an intermediate in complex manufacturing processes. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers across Europe.
Safety & Classification
Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
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
Skin Contact
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Mefentrifluconazol |
| Marine Pollutant | No |
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 a synthetic organic compound with the molecular formula C18H15ClF3N3O2 and CAS number 1417782-03-6. This chemical features a complex structure containing chlorophenoxy, trifluoromethyl, and triazole functional groups. With a molecular weight of 397.8 g/mol, it is classified as a skin sensitizer and presents aquatic toxicity hazards, requiring careful handling in industrial applications.
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 exhibits specific physicochemical characteristics due to its complex molecular structure containing halogenated aromatic rings and triazole moiety. The presence of trifluoromethyl and chlorophenoxy groups influences its polarity and solubility profile. The molecular weight of 397.8 g/mol indicates a relatively large organic molecule. Detailed physical properties such as melting point, boiling point, and exact solubility parameters should be confirmed through technical data sheets or analytical testing.
What is 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol used for?
This compound is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. The triazole ring system and complex aromatic structure make it valuable for developing bioactive compounds. Its specific molecular architecture suggests potential applications in agrochemical synthesis, pharmaceutical intermediates, or specialty chemical manufacturing. The exact commercial applications depend on the specific requirements of chemical synthesis processes and should be confirmed with technical specifications.
How to safely handle 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?
Safe handling requires appropriate personal protective equipment due to its Skin Sens. 1 classification. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Ensure adequate ventilation and avoid inhalation of dust or vapors. Use in well-ventilated areas or under fume hoods. Wash hands thoroughly after handling and avoid eating, drinking, or smoking during use. Follow GHS07 warning pictogram precautions and implement proper hygiene measures.
How to properly store 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?
Proper storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Store separately from incompatible materials and oxidizing agents. Maintain stable temperature conditions and protect from moisture. Use appropriate secondary containment to prevent environmental release due to its aquatic toxicity classification. Label containers clearly and ensure storage areas comply with local chemical storage regulations and environmental protection requirements.
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?
Immediate skin contact requires thorough washing with soap and water for at least 15 minutes while removing contaminated clothing. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its skin sensitization properties, monitor for allergic reactions and seek medical advice if symptoms develop. Do not induce vomiting if ingested and seek immediate medical attention while providing safety data sheet information.
How to properly dispose of 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?
Disposal must comply with local environmental regulations due to its Aquatic Acute 1 and Chronic 1 classifications. Never dispose of into sewers, waterways, or soil. Arrange disposal through licensed hazardous waste contractors authorized to handle aquatic toxic substances. Incineration at appropriate high-temperature facilities may be suitable under controlled conditions. Ensure waste containers are properly labeled and documented. Contact local environmental authorities for specific disposal requirements and authorized waste management facilities.
How to transport 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol?
Transportation follows ADR Class 9 (Miscellaneous Dangerous Substances) regulations with Packing Group III classification. Use appropriate packaging meeting UN specification requirements for Class 9 materials. Ensure packages are properly labeled with ADR markings and hazard labels. Transport documents must include proper shipping names and hazard classifications. Vehicles must comply with ADR requirements for Class 9 substances. Avoid transport during extreme weather conditions and ensure emergency response information accompanies shipments.
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 CLP regulation with Warning signal word and specific hazard classifications (Skin Sens. 1, Aquatic Acute 1, Aquatic Chronic 1). REACH registration requirements may apply depending on import/manufacturing volumes. While not currently listed as SVHC, its aquatic toxicity profile requires compliance with environmental protection regulations. Users must implement appropriate risk management measures and may need to report usage under various chemical inventory systems. Consult current regulatory databases for the most up-to-date requirements.
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 supply chain management and regulatory compliance support. Our European distribution network ensures efficient delivery while maintaining proper handling and documentation requirements. We provide comprehensive technical support, safety data sheets, and regulatory guidance for industrial customers. Contact OYSI directly for availability, specifications, and pricing information tailored to your specific application requirements and volume needs.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.