(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C17H20ClN3O

CAS131983-72-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
131983-72-7
UN Number
3077
Index Number
613-282-00-0
PubChem CID
6537961

Physical-chemical properties

Molecular Formula
C17H20ClN3O
Molar Mass
317.80 g/mol
IUPAC Name
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Chemical Identifiers

InChI
InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
InChI Key
PPDBOQMNKNNODG-NTEUORMPSA-N

Overview

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CAS 131983-72-7) is a specialized triazole-containing organic compound with notable biological activity and environmental persistence concerns. This complex organic molecule features a distinctive cyclopentanol core structure substituted with a chlorophenyl methylidene group and a triazole moiety, resulting in a molecular formula of C17H20ClN3O and molecular weight of 317.8 g/mol. The compound's structural complexity, particularly the presence of the 1,2,4-triazole ring system, places it within a category of specialized chemical intermediates that exhibit significant biological activity. Unlike simpler aromatic compounds such as propan-2-yl N-(3-chlorophenyl)carbamate, this molecule's multi-ring architecture contributes to its enhanced stability and specific interaction profiles. The substance is classified under multiple hazard categories including reproductive toxicity (Repr. 2), specific target organ toxicity following repeated exposure (STOT RE 2), and both acute and chronic aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). These classifications necessitate careful handling protocols and environmental management strategies. The compound bears GHS08 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and significant environmental concerns. For transportation purposes, it falls under ADR Class 9 (miscellaneous dangerous goods). Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, as a research compound for biological studies, and in specialized material science applications where triazole functionality is required. The compound's unique structural features make it particularly valuable in developing biologically active molecules and advanced chemical materials. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial and research customers requiring high-quality triazole derivatives.

Safety & Classification

Warning
Classification:

Repr. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

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

Transport (ADR)

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

Frequently Asked Questions

What is (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is a synthetic organic compound with the molecular formula C17H20ClN3O and CAS number 131983-72-7. This complex molecule features a cyclopentanol core structure with a triazole substituent and a chlorophenyl group. With a molecular weight of 317.8 g/mol, it is classified as a hazardous substance requiring careful handling due to its reproductive toxicity and environmental impact potential.

What are the physicochemical properties of (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 317.8 g/mol and contains chlorine, nitrogen, and oxygen functional groups. The compound's complex structure includes both hydrophilic (triazole, hydroxyl) and lipophilic (chlorophenyl) components, influencing its solubility profile. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization for precise determination.

What is (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol used for?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is primarily used as a chemical intermediate in pharmaceutical research and development. The triazole moiety suggests potential antifungal applications, while the complex structure indicates use in specialized synthetic pathways. Given its hazard classification, applications are typically limited to professional laboratory settings and controlled industrial processes where appropriate safety measures can be implemented.

How to handle (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol safely?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol requires careful handling due to its Repr. 2 and STOT RE 2 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion. Wash hands thoroughly after handling and before eating or drinking. Ensure emergency procedures are accessible.

How to store (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol correctly?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright and properly labeled with hazard information. Store away from heat sources, direct sunlight, and ignition sources. Implement appropriate containment measures to prevent environmental release. Ensure storage areas comply with local chemical storage regulations and have appropriate fire suppression systems.

What to do in case of contact with (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

Immediate removal from exposure is essential for (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol contact. For skin contact: remove contaminated clothing and wash thoroughly with soap and water. For eye contact: flush immediately with clean water for at least 15 minutes. If inhaled: move to fresh air immediately. If swallowed: do not induce vomiting and seek immediate medical attention. Contact poison control or emergency services if symptoms develop.

How to dispose of (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol appropriately?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol must be disposed of through licensed hazardous waste contractors due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Never dispose of in regular waste streams or pour down drains. Collect waste in appropriate containers, properly labeled with contents and hazard information. Follow local and national regulations for hazardous chemical waste disposal. Consider waste minimization strategies during use.

How to transport (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III. Transport requires appropriate UN-specification packaging, proper hazard labels, and shipping documentation. Vehicles must carry appropriate emergency response information. Drivers need ADR training certification. Ensure packages are secured against movement and damage during transport. Follow all applicable national and international dangerous goods transport regulations.

Is (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol subject to special regulations?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is subject to REACH registration requirements in Europe and CLP classification obligations. While not currently identified as an SVHC, its hazard profile requires compliance with occupational exposure regulations and environmental protection measures. Users must ensure proper risk assessment, implement appropriate control measures, and maintain safety data sheets. Check for any updates to regulatory status and local restrictions before use.

Where to buy (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol in Europe?

(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is available through specialized chemical distributors like OYSI across Europe. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a specialized compound with specific hazard requirements, availability may be subject to qualification processes and minimum order quantities. Contact OYSI directly for current availability, specifications, and technical support for your specific application requirements.

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(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-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.