2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol
C13H13Cl2N3O
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Identification
- CAS Number
- 89544-40-1
- EC Number
- 407-850-5
- UN Number
- 3077
- Index Number
- 603-125-00-4
- PubChem CID
- 11969522
Physical-chemical properties
- Molecular Formula
- C13H13Cl2N3O
- Molar Mass
- 298.16 g/mol
- IUPAC Name
- 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol
Chemical Identifiers
- InChI
- InChI=1S/C13H13Cl2N3O/c1-2-5-13(19,7-18-9-16-8-17-18)11-4-3-10(14)6-12(11)15/h2-4,6,8-9,19H,1,5,7H2
- InChI Key
- LPNWYANEBGVEBX-UHFFFAOYSA-N
Overview
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol (CAS 89544-40-1) is a triazole-containing organic compound with fungicidal properties and notable biological activity. This specialized chemical compound, with molecular formula C13H13Cl2N3O and molecular weight 298.16 g/mol, represents an important class of triazole derivatives widely utilized in pharmaceutical and agricultural applications. The molecule features a distinctive structure combining a dichlorophenyl group with a triazole ring system, connected through a pentenol chain that contributes to its unique chemical behavior and biological activity. The compound exhibits significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 4), serious eye damage (Category 1), and chronic aquatic toxicity (Category 2). These classifications require careful handling protocols and appropriate personal protective equipment during industrial processing and application. The GHS pictograms GHS07, GHS05, and GHS09 indicate the need for comprehensive safety measures, while its ADR Class 9 classification addresses transportation requirements for miscellaneous dangerous substances. Primary industrial applications include fungicidal formulations for crop protection, pharmaceutical intermediate synthesis, and specialized chemical manufacturing processes. The triazole moiety provides excellent antifungal properties, making it valuable in agricultural chemistry, while its structural similarity to compounds like 1H-indole-5,6-diol demonstrates the versatility of heterocyclic systems in medicinal chemistry applications. Quality control and regulatory compliance remain critical factors in its commercial use, particularly given its environmental impact classification. Unlike simpler compounds such as 2-fluoro-4-hydroxybenzonitrile, this triazole derivative requires specialized handling expertise and environmental monitoring protocols. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for qualified industrial customers throughout Europe.
Safety & Classification
Acute Tox. 4 *; Eye Dam. 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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | 2-(2,4-Dichlorphenyl)-1-(1H-1,2,4-triazol-1-yl)pent-4-en-2-ol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is a synthetic organic compound with the molecular formula C13H13Cl2N3O and CAS number 89544-40-1. This substance features a dichlorophenyl group connected to a triazole ring system with a pentenol chain. With a molecular weight of 298.16 g/mol, it belongs to the triazole class of compounds and exhibits specific chemical properties due to its unique structural arrangement of chlorine, nitrogen, and oxygen functional groups.
What are the physicochemical properties of 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is an organic solid compound with a molecular weight of 298.16 g/mol and the formula C13H13Cl2N3O. The compound contains multiple functional groups including dichlorophenyl, triazole, and alcohol moieties, which influence its solubility and stability characteristics. Its specific physical properties such as melting point, boiling point, and solubility parameters should be confirmed through technical documentation or safety data sheets for precise handling requirements.
What is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol used for?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. The compound's triazole structure makes it valuable in the development of antifungal agents and other bioactive molecules. It serves as a key building block in organic synthesis processes within pharmaceutical, agrochemical, and specialty chemical industries, where its unique molecular structure provides specific reactivity patterns for further chemical transformations.
How to handle 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol safely?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol requires careful handling due to its Acute Tox. 4 and Eye Dam. 1 classifications. Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Ensure adequate ventilation in work areas and avoid direct contact with skin and eyes. Handle the substance in a well-ventilated area or under a fume hood, and wash hands thoroughly after use to prevent accidental exposure.
How to store 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol correctly?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed and store in appropriate chemical storage areas with adequate ventilation. Due to its classification as Aquatic Chronic 2, prevent environmental release and store away from water sources. Maintain storage temperatures according to supplier specifications and ensure proper labeling with GHS pictograms (GHS07, GHS05, GHS09) for safety identification.
What to do in case of contact with 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol?
Immediate first aid is crucial for 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol exposure due to its Eye Dam. 1 classification. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention promptly. In case of skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for detailed emergency procedures.
How to dispose of 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol properly?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol must be disposed of according to local and national waste regulations due to its hazardous classification. Contact licensed waste disposal companies for proper treatment and disposal. Never discharge into sewers, water sources, or soil due to its Aquatic Chronic 2 classification. Collect waste in appropriate containers, label clearly, and maintain waste documentation. Incineration at authorized facilities may be required depending on local regulations and the compound's chemical properties.
How to transport 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Shipments must include proper shipping names, UN numbers, and hazard labels. Transport vehicles must comply with ADR requirements, and drivers need appropriate training and certification for handling Class 9 dangerous goods during transportation across European borders.
Is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol subject to special regulations?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is subject to REACH and CLP regulations within the European Union. The substance is classified under CLP with hazard classes Acute Tox. 4, Eye Dam. 1, and Aquatic Chronic 2, requiring appropriate GHS labeling. It is not currently listed as a Substance of Very High Concern (SVHC). Companies handling this substance must comply with registration, evaluation, and authorization requirements under REACH, including safety data sheet provisions and supply chain communication obligations.
Where to buy 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol in Europe?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance, including proper documentation, safety data sheets, and transport arrangements according to ADR Class 9 requirements. As a trusted supplier across Europe, OYSI ensures quality standards and regulatory compliance for research institutions, pharmaceutical companies, and specialty chemical manufacturers requiring this specific triazole compound.
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ADR Consulting for 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-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.