(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
C15H17Cl2N3O
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Identification
- CAS Number
- 76714-88-0
- UN Number
- 3077
- Index Number
- 613-117-00-2
- PubChem CID
- 6436605
Physical-chemical properties
- Molecular Formula
- C15H17Cl2N3O
- Molar Mass
- 326.20 g/mol
- IUPAC Name
- (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Chemical Identifiers
- InChI
- InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
- InChI Key
- FBOUIAKEJMZPQG-AWNIVKPZSA-N
Overview
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CAS 76714-88-0) is an organochlorine compound featuring triazole functionality with notable antifungal properties. This synthetic organic molecule belongs to the triazole class of antifungal agents, characterized by its distinctive structural features including a dichlorophenyl group, a triazole ring, and a tertiary alcohol moiety. The compound's molecular formula C15H17Cl2N3O and molecular weight of 326.2 g/mol reflect its moderate size and complexity, making it suitable for various specialized applications in chemical synthesis and material science. The substance exhibits specific safety characteristics that require careful handling protocols. Classified under GHS pictograms GHS07 and GHS09, it presents acute toxicity concerns (Acute Tox. 4) and significant aquatic environmental hazards (Aquatic Acute 1, Aquatic Chronic 1). The "Warning" signal word indicates moderate hazard levels, while its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. These safety parameters necessitate appropriate personal protective equipment and environmental containment measures during handling and storage. Industrial applications typically focus on its antifungal properties in agricultural formulations, its utility as an intermediate in pharmaceutical synthesis, and its role in specialty chemical manufacturing processes. The compound shares certain structural similarities with other nitrogen-containing heterocycles like 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, though their applications differ significantly due to distinct molecular architectures. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.
Safety & Classification
Acute Tox. 4 *; 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
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 | Diniconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is an organic chemical compound with CAS number 76714-88-0 and molecular formula C15H17Cl2N3O. This substance has a molecular weight of 326.2 g/mol and contains dichlorophenyl and triazole functional groups. It is classified as moderately toxic and highly toxic to aquatic life, requiring careful handling and environmental protection measures during use.
What are the physicochemical properties of (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is a complex organic molecule containing chlorine atoms and nitrogen heterocycles. With its molecular formula C15H17Cl2N3O and molecular weight of 326.2 g/mol, it features both aromatic and aliphatic structural elements. The presence of dichlorophenyl and triazole groups influences its chemical behavior and stability. Specific physical properties such as melting point, boiling point, and solubility depend on detailed analytical characterization.
What is (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol used for?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is typically used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazole functional group and dichlorophenyl structure make it valuable for developing biologically active compounds. The substance may serve as a building block in the manufacture of fungicides, pharmaceuticals, or other specialty chemicals requiring specific structural features. Professional applications include research and development in chemical synthesis laboratories.
How to safely handle (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol requires careful handling due to its Acute Tox. 4 classification. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid inhalation, skin contact, or ingestion. The substance is highly toxic to aquatic life, so prevent environmental release. Handle in well-ventilated areas with proper containment measures to protect both workers and the environment.
How to properly store (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed to prevent contamination and environmental release. Due to its aquatic toxicity classification, storage areas must have appropriate containment systems to prevent water contamination. Store separately from food, feed, and drinking water supplies, following proper chemical segregation principles for hazardous materials.
What to do in case of contact with (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
Immediate action is required if contact occurs with (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol due to its moderate toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to properly dispose of (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol must be disposed of through authorized hazardous waste disposal facilities due to its toxicity and environmental hazard classification. Never dispose of this substance in regular waste, sewers, or water systems as it is highly toxic to aquatic life. Contact licensed waste management companies specializing in hazardous chemical disposal. Follow local and European waste regulations including proper labeling, documentation, and tracking procedures for hazardous waste disposal.
How to transport (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must carry proper placarding and emergency response information. Drivers need ADR certification for transporting this material. Ensure packages are properly sealed, labeled with hazard pictogrammes GHS07 and GHS09, and accompanied by transport documents specifying the hazardous nature of the cargo.
Is (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol subject to specific regulations?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is subject to European chemical regulations including REACH registration requirements and CLP classification. It is not currently identified as a Substance of Very High Concern (SVHC). The substance must be classified with Warning signal word and GHS07/GHS09 pictogrammes due to its toxicity and environmental hazards. Users must comply with occupational health regulations and environmental protection requirements when handling this material in industrial applications.
Where to buy (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol in Europe?
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this substance to qualified industrial customers with proper documentation including safety data sheets and certificates of analysis. Professional buyers requiring this chemical for research, pharmaceutical synthesis, or other industrial applications can contact OYSI for availability, specifications, and regulatory compliance support throughout Europe.
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(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-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.