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 an organochlorine triazole compound with fungicidal properties and potential biological activity. This specialized chemical compound, with molecular formula C13H13Cl2N3O and molecular weight 298.16 g/mol, belongs to the triazole family of chemicals known for their diverse applications in pharmaceutical and agricultural sectors. The compound features a distinctive structural framework combining a dichlorophenyl group with a triazole ring system, connected through a pentenol chain that contributes to its unique chemical properties. The substance presents significant safety considerations, classified under multiple hazard categories including Acute Toxicity Category 4, Eye Damage Category 1, and Aquatic Chronic Toxicity Category 2. These classifications require careful handling protocols, as indicated by the "Danger" signal word and associated GHS pictograms (GHS07, GHS05, GHS09). The compound falls under ADR Class 9 for transportation purposes, emphasizing the need for appropriate logistics management. From a structural chemistry perspective, this triazole derivative shares certain characteristics with other bioactive compounds in pharmaceutical applications, though it differs significantly from simpler molecules like 2-fluoro-4-hydroxybenzonitrile in terms of complexity and functional groups. The presence of both chlorine substituents and the triazole moiety suggests potential applications in antimicrobial research, agricultural chemistry, and specialized pharmaceutical intermediates. Primary industrial applications include use as a fungicidal agent, pharmaceutical intermediate synthesis, and specialized research applications in organic chemistry. The compound's unique structural features make it valuable for developing advanced chemical formulations and conducting specialized chemical research. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial and research customers requiring high-quality chemical intermediates.
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 an organochlorine compound with triazole functionality, identified by CAS number 89544-40-1. This chemical substance has a molecular formula of C13H13Cl2N3O and a molecular weight of 298.16 g/mol. It contains both dichlorophenyl and triazole structural groups, which are characteristic of certain pharmaceutical intermediates and specialty chemicals. The compound is classified as hazardous with acute toxicity, eye damage, and aquatic chronic toxicity properties.
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 a solid organic compound at room temperature with a molecular weight of 298.16 g/mol. The presence of chlorine atoms and triazole ring influences its polarity and solubility characteristics. As an alcohol-containing compound with aromatic and heterocyclic structures, it likely exhibits limited water solubility but good solubility in organic solvents. The compound's stability and reactivity are influenced by the triazole ring and the unsaturated carbon chain in its structure.
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 a chemical intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The triazole functional group suggests potential applications in antifungal drug development or as a building block for bioactive compounds. It may also serve as a research chemical for academic and industrial R&D purposes. The compound's unique structure makes it valuable for developing new chemical entities in medicinal chemistry and agrochemical research applications.
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. Essential PPE includes chemical-resistant gloves, safety goggles with side shields, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct contact with skin and eyes, and ensure no ingestion occurs. Handle containers carefully to prevent spills, and have emergency shower and eyewash stations readily accessible during use.
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 tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers upright and properly labeled with hazard information. Store separately from incompatible materials such as strong oxidizers and bases. Ensure storage areas have appropriate spill containment measures and are accessible only to trained personnel. Regular container inspection is recommended to check for leaks or deterioration, particularly given the compound's corrosive potential.
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 critical due to the compound's Eye Dam. 1 classification and acute toxicity. For eye contact, flush immediately with copious amounts of clean water for at least 15 minutes and seek immediate medical attention. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical help. Always contact emergency services if symptoms develop or persist after exposure.
How to dispose of 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol appropriately?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol disposal must comply with local and national hazardous waste regulations due to its toxicity and environmental impact classifications. The compound requires disposal through authorized hazardous waste contractors and cannot be disposed of in regular waste streams. Incineration at licensed high-temperature facilities is typically the preferred method. Empty containers should also be treated as hazardous waste unless properly decontaminated. Consult local environmental authorities for specific disposal requirements in your region.
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 as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation. This classification requires appropriate UN-specification packaging, proper hazard labeling, and transport documentation. Packages must display the Class 9 diamond hazard label and environmental hazard markings due to its aquatic toxicity. Transport vehicles require appropriate placarding, and drivers need ADR training certification. Ensure compliance with national transport regulations and use approved dangerous goods carriers for shipment.
Is 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol subject to particular regulations?
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-4-en-2-ol is regulated under European REACH and CLP regulations due to its hazardous classifications. The compound requires appropriate safety data sheets, hazard labeling with GHS07, GHS05, and GHS09 pictograms, and the danger signal word. It is not currently listed as an SVHC substance under REACH. Users must comply with occupational exposure limits, waste disposal regulations, and transport requirements under ADR. Additional national restrictions may apply for specific uses or quantities.
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 hazard classification, safety documentation, and appropriate packaging for safe transport. As a professional chemical supplier, OYSI ensures product quality and regulatory conformity for industrial and research applications. Contact OYSI directly for availability, technical specifications, and ordering information for your specific requirements.
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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.