1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

C15H19Cl2N3O

CAS75736-33-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
75736-33-3
UN Number
3077
Index Number
613-122-00-X
PubChem CID
53309

Physical-chemical properties

Molecular Formula
C15H19Cl2N3O
Molar Mass
328.20 g/mol
IUPAC Name
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

Chemical Identifiers

InChI
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
InChI Key
URDNHJIVMYZFRT-UHFFFAOYSA-N

Overview

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol (CAS 75736-33-3) is an organochlorine compound with triazole functionality exhibiting antifungal properties. This specialized chemical compound represents a significant molecule in the triazole family, characterized by its unique molecular structure combining a dichlorophenyl group with a triazole ring system. With a molecular formula of C15H19Cl2N3O and molecular weight of 328.2 g/mol, this substance demonstrates the complex chemistry typical of modern pharmaceutical and agrochemical intermediates. The compound's structure features both aromatic and aliphatic components, providing versatility in chemical reactivity and biological activity. From a safety perspective, this material is classified under GHS pictograms GHS07 and GHS09, indicating eye irritation potential (Eye Irrit. 2) and chronic aquatic toxicity (Aquatic Chronic 2). The "Warning" signal word reflects its moderate hazard profile, requiring appropriate handling procedures and personal protective equipment during industrial use. As a Class 9 ADR substance, it requires specific transportation protocols for safe logistics management. Industrial applications primarily focus on pharmaceutical intermediate synthesis and agrochemical production, where the triazole moiety provides essential antifungal activity. The compound serves as a building block for developing crop protection agents and therapeutic compounds. Unlike simpler molecules such as triphenyl phosphite, this complex structure offers targeted biological activity through its specific molecular architecture. The dichlorophenyl component enhances the molecule's stability and bioavailability, making it valuable for formulation chemistry. Its synthetic versatility allows for further chemical modifications, supporting research and development activities in pharmaceutical and agricultural sectors. OYSI maintains reliable supply chains for this specialized compound, supporting European customers with consistent quality and regulatory compliance for their technical applications.

Safety & Classification

Warning
Classification:

Eye Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H319

Causes serious eye irritation.

H411

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:

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 NameDiclobutrazol
Marine PollutantNo

Frequently Asked Questions

What is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is an organic chemical compound with CAS number 75736-33-3 and molecular formula C15H19Cl2N3O. This synthetic molecule features a dichlorophenyl group connected to a triazole ring system, with a molecular weight of 328.2 g/mol. It is classified as a hazardous substance with eye irritation properties and potential environmental impact on aquatic life.

What are the physicochemical properties of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol has a molecular mass of 328.2 g/mol and contains chlorine, nitrogen, and oxygen functional groups. The presence of the dichlorophenyl group and triazole ring suggests limited water solubility and moderate lipophilicity. The hydroxyl group in the pentan-3-ol chain provides some polar character. Specific physical properties like melting point and density require analytical determination for precise values.

What is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol used for?

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is primarily used in pharmaceutical and agrochemical industries as an intermediate or active ingredient. The triazole ring system is commonly found in antifungal compounds, while the dichlorophenyl structure suggests potential antimicrobial applications. It may serve as a building block for more complex molecules or as a specialty chemical in research and development applications.

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

Safe handling requires wearing appropriate personal protective equipment including safety goggles to prevent eye contact, as the substance is classified as Eye Irritant Category 2. Use chemical-resistant gloves, protective clothing, and ensure adequate ventilation in work areas. Avoid generating dust or vapors, and implement proper hygiene measures including hand washing after handling. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure.

How to store 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol correctly?

Store 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled. Due to its aquatic toxicity classification, ensure containment measures prevent environmental release. Store away from heat sources and direct sunlight. Maintain inventory records and implement first-in-first-out rotation to ensure product integrity.

What to do in case of contact with 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?

Immediate eye irrigation with clean water for at least 15 minutes is essential if eye contact occurs, as this substance causes eye irritation. Remove contact lenses if present and easily removable. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large amounts were involved in the exposure.

How to dispose of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol properly?

Disposal must comply with local and national hazardous waste regulations due to its eye irritation and aquatic toxicity properties. Arrange collection through licensed hazardous waste disposal companies. Do not discharge to sewers, waterways, or soil due to environmental concerns. Small quantities may require incineration at authorized facilities. Consult local environmental authorities for specific disposal requirements and maintain proper waste documentation for regulatory compliance.

How to transport 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?

Transportation follows ADR Class 9 (Miscellaneous dangerous goods) regulations with Packing Group III classification. Use appropriate UN-specification packaging and ensure proper labeling with GHS07 and GHS09 pictograms. Transport documentation must include the correct shipping name and hazard identification. Drivers require ADR training for Class 9 materials. Ensure emergency response information is available during transport and follow specific routing restrictions where applicable.

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

This substance is regulated under REACH and CLP regulations in Europe, requiring safety data sheets and proper classification as Eye Irritant Category 2 and Aquatic Chronic Category 2. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must comply with registration requirements and downstream users must follow exposure scenarios. ADR transport regulations also apply due to its Class 9 classification.

Where to buy 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol in Europe?

OYSI is a reliable European distributor offering 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol for industrial and research applications. As a specialized chemical supplier, OYSI provides proper documentation including safety data sheets and certificates of analysis. Contact OYSI directly for availability, packaging options, and technical support. Their European distribution network ensures compliance with local regulations and efficient delivery across European markets.

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1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-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.