2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
C14H17Cl2N3O
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Identification
- CAS Number
- 79983-71-4
- EC Number
- 413-050-7
- UN Number
- 3077
- Index Number
- 613-171-00-7
- PubChem CID
- 66461
Physical-chemical properties
- Molecular Formula
- C14H17Cl2N3O
- Molar Mass
- 314.20 g/mol
- IUPAC Name
- 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
Chemical Identifiers
- InChI
- InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
- InChI Key
- STMIIPIFODONDC-UHFFFAOYSA-N
Overview
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol (CAS 79983-71-4) is an organochlorine compound featuring triazole functionality with antifungal properties and moderate aquatic toxicity. This specialized chemical compound belongs to the triazole family and exhibits distinctive structural characteristics that make it valuable for various industrial applications. With a molecular formula of C14H17Cl2N3O and molecular weight of 314.2 g/mol, this substance combines a dichlorophenyl group with a triazole ring system, creating a unique chemical profile that distinguishes it from related compounds such as 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one. The compound is classified under European regulations with EC number 413-050-7 and presents moderate hazard characteristics. Safety considerations include acute toxicity category 4, skin sensitization potential, and chronic aquatic toxicity. The GHS07 and GHS09 pictograms indicate both health and environmental hazards, requiring appropriate handling procedures and personal protective equipment during industrial use. Primary applications include fungicidal formulations, where the triazole moiety provides effective antifungal activity, pharmaceutical intermediates for drug synthesis, and specialized chemical research applications. The hexanol chain contributes to the compound's solubility properties and biological activity profile, making it particularly suitable for formulations requiring specific penetration characteristics. The substance falls under ADR transport class 9, indicating miscellaneous dangerous goods classification for shipping purposes. Unlike simpler compounds such as 2-chloro-6-(ethylamino)-4-nitrophenol, this triazole derivative offers enhanced stability and targeted biological activity. OYSI maintains reliable supply chains for 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4 *; Skin Sens. 1; 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
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:
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Hexaconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol is an organic chemical compound with CAS number 79983-71-4 and molecular formula C14H17Cl2N3O. This substance belongs to the triazole family and contains dichlorophenyl groups in its structure. With a molecular weight of 314.2 g/mol, it is classified as moderately hazardous with acute toxicity and skin sensitization properties, requiring careful handling in industrial applications.
What are the physicochemical properties of 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol has a molecular weight of 314.2 g/mol and molecular formula C14H17Cl2N3O. The compound contains both hydrophobic dichlorophenyl and hydrophilic triazole moieties, which influence its solubility characteristics. Its structure includes a secondary alcohol group and aromatic chlorine substituents. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed technical specifications from the manufacturer.
What is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol used for?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its triazole structure makes it valuable in the development of antifungal compounds and specialized chemical products. The compound serves as a building block in organic synthesis for creating more complex molecules. Industrial applications may include use in research and development laboratories for chemical manufacturing processes requiring triazole-containing intermediates.
How to handle 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. The compound is classified as Acute Tox. 4 and Skin Sens. 1, necessitating careful handling to avoid ingestion and skin sensitization. Work in well-ventilated areas or under fume extraction systems. Avoid generating dust or vapors, and ensure emergency eyewash stations and safety showers are accessible during handling operations.
How to store 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol correctly?
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 such as strong oxidizing agents and acids. Maintain storage temperatures according to manufacturer specifications and ensure containers are properly labeled with hazard information. Access should be restricted to trained personnel, and storage areas should be equipped with appropriate spill containment measures and emergency response equipment.
What to do in case of contact with 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol?
Immediate first aid measures include removing contaminated clothing and flushing affected skin with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with clean water and seek medical attention immediately. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Due to the skin sensitization properties, any skin contact requires thorough decontamination and medical evaluation if irritation develops.
How to dispose of 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol appropriately?
Disposal must comply with local, national, and EU waste regulations as the compound is classified as hazardous waste. The substance should be collected and disposed of through licensed hazardous waste contractors specializing in chemical disposal. Never dispose of via regular waste streams or pour down drains due to its Aquatic Chronic 2 classification. Containers should be properly cleaned or disposed of as hazardous waste, and all disposal activities must be documented according to regulatory requirements.
How to transport 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol?
Transportation is regulated under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III, indicating moderate transport hazard. Packages must be properly labeled with UN identification numbers and hazard labels according to dangerous goods regulations. Use appropriate packaging that meets ADR specifications for Class 9 substances. Transport vehicles require proper documentation including transport documents, emergency response information, and driver training certificates for dangerous goods transportation within Europe.
Is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol subject to special regulations?
The compound is subject to EU CLP regulation for classification, labeling, and packaging as indicated by its GHS07 and GHS09 pictograms and Warning signal word. It falls under REACH regulation for registration and evaluation but is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations due to its acute toxicity and skin sensitization properties, and environmental protection measures due to its aquatic toxicity classification.
Where to buy 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol in Europe?
OYSI serves as a reliable European distributor for 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol, providing quality chemical products to industrial customers across Europe. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this controlled substance. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory documentation required for your specific application and jurisdiction within the European market.
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ADR Consulting for 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-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.