(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

C15H17Cl2N3O

CAS76714-88-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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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 a synthetic organic compound featuring dichlorophenyl and triazole functional groups with antifungal properties. This specialized chemical compound belongs to the triazole family and exhibits a complex molecular structure incorporating both aromatic and heterocyclic components. With a molecular formula of C15H17Cl2N3O and molecular weight of 326.2 g/mol, this substance demonstrates significant biological activity primarily attributed to its triazole ring system and dichlorophenyl moiety. The compound's stereochemistry, indicated by the (E)-configuration, plays a crucial role in its biological efficacy and selectivity. From a safety perspective, this compound requires careful handling due to its classification under acute toxicity category 4 and significant aquatic toxicity concerns. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, necessitating appropriate personal protective equipment and containment measures during handling and storage. As an ADR class 9 substance, it falls under miscellaneous dangerous goods requiring specific transport protocols. The compound finds primary applications in agricultural formulations as an antifungal agent, particularly in crop protection products. Industrial applications also extend to specialty chemical synthesis and research applications where triazole-based chemistry is required. Unlike simpler heterocyclic compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this molecule's complex structure provides enhanced selectivity and potency in biological systems. OYSI maintains strategic partnerships to ensure reliable availability of this specialized compound for qualified industrial customers across European markets, supporting both research institutions and commercial applications requiring high-purity triazole derivatives.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameDiniconazol (ISO)
Marine PollutantNo

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 the molecular formula C15H17Cl2N3O and CAS number 76714-88-0. This substance has a molecular weight of 326.2 g/mol and contains dichlorophenyl and triazole functional groups. It is classified as moderately toxic (Acute Tox. 4) and highly toxic to aquatic environments, requiring careful handling and environmental protection measures.

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 chlorinated aromatic rings and triazole heterocycles. The compound features a pent-1-en-3-ol backbone with dichlorophenyl and triazole substituents. Its molecular structure suggests limited water solubility due to the lipophilic aromatic components, while the hydroxyl group may provide some polar character. The presence of chlorine atoms and nitrogen heterocycles influences its chemical stability and reactivity profile.

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 primarily used in specialized chemical applications and research. The compound's structure, containing triazole and dichlorophenyl moieties, suggests potential applications in pharmaceutical intermediates, agrochemical synthesis, or as a building block in organic chemistry. Its specific functional groups make it valuable for developing compounds with biological activity or as a precursor in multi-step synthetic processes requiring precise molecular architecture.

How to handle (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol safely?

(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. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to prevent inhalation. Avoid skin and eye contact, and prevent environmental release due to its high aquatic toxicity. Use appropriate containment measures and ensure personnel are trained in chemical handling procedures.

How to store (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol properly?

(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 direct sunlight. Keep containers tightly closed and use appropriate secondary containment to prevent environmental contamination. Store separately from incompatible materials such as strong oxidizers and bases. Ensure storage areas are equipped with spill containment measures and access is restricted to trained personnel only, given its toxicity profile.

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 first aid measures for (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol exposure include thorough decontamination. For skin contact, remove contaminated clothing and wash affected area with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician after any significant exposure.

How to dispose of (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol appropriately?

(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol must be disposed of as hazardous waste due to its toxicity and environmental impact. Never discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Chronic 1 classifications. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves high-temperature incineration. Follow local, national, and EU waste regulations including the Waste Framework Directive. Maintain proper documentation for waste tracking and disposal records.

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. This classification requires appropriate UN specification packaging, proper labeling with Class 9 hazard labels, and accompanying transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training. Ensure packages are secured against movement and leakage during transport. The relatively lower risk Packing Group III classification allows for standard Class 9 transport procedures under ADR regulations.

Is (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol subject to special regulations?

(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is subject to standard REACH and CLP regulations in Europe but is not classified as a Substance of Very High Concern (SVHC). It requires safety data sheets and appropriate hazard labeling with GHS07 and GHS09 pictograms and 'Warning' signal word. Suppliers must ensure REACH registration for quantities above one tonne per year. Users must implement appropriate risk management measures based on its toxicity classification and environmental hazards.

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. OYSI provides this compound to qualified industrial and research customers with proper documentation including certificates of analysis and safety data sheets. As a regulated chemical with specific handling requirements, purchases are typically limited to professional users with appropriate facilities and expertise. Contact OYSI directly for availability, specifications, and ordering procedures for this specialized chemical compound.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.