1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

C19H17Cl2N3O3

CAS119446-68-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
119446-68-3
UN Number
3077
Index Number
613-347-00-3
PubChem CID
86173

Physical-chemical properties

Molecular Formula
C19H17Cl2N3O3
Molar Mass
406.30 g/mol
IUPAC Name
1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Chemical Identifiers

InChI
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
InChI Key
BQYJATMQXGBDHF-UHFFFAOYSA-N

Overview

1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole (CAS 119446-68-3) is an organochlorine compound featuring triazole and dioxolane functional groups with significant biological activity. This complex organic molecule represents a sophisticated example of modern synthetic chemistry, combining multiple heterocyclic structures within a single molecular framework. The compound contains a 1,2,4-triazole ring system linked to a substituted dioxolane moiety, which is further connected to a dichlorophenoxyphenyl group. With a molecular formula of C19H17Cl2N3O3 and molecular weight of 406.3 g/mol, this substance demonstrates the structural complexity typical of specialized pharmaceutical and agrochemical intermediates. The presence of chlorine substituents and the triazole ring system suggests potential antifungal properties, similar to other triazole-based compounds used in crop protection and pharmaceutical applications. Unlike simpler chlorinated compounds such as 1,4-dichlorobenzene, this molecule's multi-ring structure provides enhanced selectivity and biological activity through specific molecular interactions. Safety considerations are paramount when handling this substance, as it is classified under multiple hazard categories including suspected carcinogenicity (Carc. 2), acute toxicity (Acute Tox. 4), and environmental hazards (Aquatic Acute 1, Aquatic Chronic 1). The compound requires careful handling protocols and appropriate personal protective equipment, with transport classified under ADR Class 9 for miscellaneous dangerous substances. Primary industrial applications include use as a pharmaceutical intermediate, agrochemical synthesis precursor, and specialized research chemical. The compound's unique structural features make it valuable in medicinal chemistry research and crop protection product development. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European industrial and research applications with consistent quality standards.

Safety & Classification

Warning
Classification:

Carc. 2; Acute Tox. 4; Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H302

Harmful if swallowed.

H319

Causes serious eye irritation.

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

Eye Contact

Irritant

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

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 NameDifenoconazol (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole?

1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole is an organic chemical compound with the molecular formula C19H17Cl2N3O3 and molecular weight of 406.3 g/mol. This complex molecule contains triazole and dioxolan functional groups along with chlorinated aromatic rings. It is classified under CAS number 119446-68-3 and belongs to the category 2 carcinogens with additional toxicological and environmental hazard properties.

What are the physicochemical properties of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole?

This compound is a solid organic substance with a molecular weight of 406.3 g/mol and molecular formula C19H17Cl2N3O3. The molecule features two chlorine atoms, three nitrogen atoms in the triazole ring, and three oxygen atoms in its structure. Due to its complex aromatic structure with chlorinated phenyl groups and heterocyclic components, it exhibits specific solubility characteristics and stability properties typical of substituted triazole derivatives.

What is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole used for?

This triazole derivative is primarily used in specialized chemical applications requiring its unique molecular structure. The presence of triazole functionality combined with chlorinated aromatic groups makes it suitable for advanced organic synthesis, pharmaceutical intermediates, or specialty chemical formulations. Its specific applications depend on its reactivity profile and the requirements of particular industrial processes where such complex heterocyclic compounds are needed.

How to handle 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing due to its Acute Tox. 4 and Eye Irrit. 2 classifications. Work in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Given its category 2 carcinogen classification, minimize exposure duration and ensure proper hygiene practices including thorough handwashing after handling.

How to store 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole correctly?

Store this substance in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its environmental hazard classification (Aquatic Acute 1; Aquatic Chronic 1), ensure secondary containment to prevent environmental release. Keep containers properly labeled and store separately from food, beverages, and feed. Access should be restricted to trained personnel only, considering its carcinogenic properties.

What to do in case of contact with 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole?

Immediate decontamination is essential following any contact. For skin contact, remove contaminated clothing and rinse thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention due to its eye irritant properties. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, informing healthcare providers of the substance's carcinogenic classification.

How to dispose of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole appropriately?

Disposal must comply with local, national, and international hazardous waste regulations due to its carcinogenic and environmental hazard properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into drains, sewers, or the environment given its Aquatic Acute 1 classification. Contaminated packaging should also be treated as hazardous waste and disposed of through appropriate channels with proper documentation.

How to transport 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole?

This substance is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires special transportation considerations. Packaging must meet UN specification requirements for Class 9 materials. Proper shipping documentation, labeling with appropriate hazard pictogrammes (GHS08, GHS07, GHS09), and emergency response information must accompany shipments. Transportation should follow ADR regulations for miscellaneous dangerous goods with appropriate vehicle placarding.

Is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole subject to specific regulations?

Yes, this substance is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification obligations. Its carcinogenic properties (Carc. 2) trigger specific labeling and handling requirements under CLP. Environmental hazard classifications require compliance with water protection regulations. While not currently listed as a SVHC, its hazard profile means it may be subject to future regulatory restrictions or authorization requirements under various chemical safety legislations.

Where to buy 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, providing professional-grade materials with full regulatory compliance documentation. As an established chemical distributor, OYSI ensures proper handling, storage, and transportation of hazardous materials like this triazole derivative. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory documentation required for your specific application and jurisdiction within Europe.

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1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole 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.