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

C17H22ClN3O

CAS125116-23-6
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
125116-23-6
UN Number
3077
Index Number
613-284-00-1
PubChem CID
86210

Physical-chemical properties

Molecular Formula
C17H22ClN3O
Molar Mass
319.80 g/mol
IUPAC Name
5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Chemical Identifiers

InChI
InChI=1S/C17H22ClN3O/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/h3-6,11-12,14,22H,7-10H2,1-2H3
InChI Key
XWPZUHJBOLQNMN-UHFFFAOYSA-N

Overview

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CAS 125116-23-6) is an organochlorine compound with triazole functionality and cyclopentanol structure featuring reproductive toxicity properties. This complex organic molecule represents a sophisticated synthetic intermediate characterized by its unique structural features including a chlorinated phenyl group, a triazole ring system, and a substituted cyclopentanol backbone. The compound's molecular formula C17H22ClN3O reflects its multifunctional nature, combining aromatic, heterocyclic, and aliphatic components within a single framework weighing 319.8 g/mol. The substance exhibits significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Category 2), acute toxicity (Category 4), and chronic aquatic toxicity (Category 2). These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial operations. The GHS pictograms GHS08, GHS07, and GHS09 indicate health hazards, acute toxicity, and environmental concerns respectively, while the ADR Class 9 designation classifies it as a miscellaneous dangerous substance for transportation purposes. Primary industrial applications include its utilization as a synthetic building block in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and advanced materials research. The triazole moiety provides valuable coordination chemistry properties, while the chlorophenyl group offers opportunities for further synthetic modifications. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex architecture enables highly specific chemical transformations in specialized applications. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-quality synthetic intermediates.

Safety & Classification

Warning
Classification:

Repr. 2; Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

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 NameMetconazol (ISO)
Marine PollutantNo

Frequently Asked Questions

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is an organic compound with the molecular formula C17H22ClN3O and CAS number 125116-23-6. This substance features a cyclopentanol core structure with chlorophenyl and triazole substituents, giving it a molecular weight of 319.8 g/mol. It is classified as a reproductive toxicant category 2 and acute toxicant category 4, requiring careful handling in industrial applications.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is a solid organic compound at room temperature with a molecular weight of 319.8 g/mol. The presence of the hydroxyl group and triazole ring suggests moderate polarity, while the chlorophenyl substituent contributes to its lipophilic character. The compound's stability and solubility characteristics are influenced by its cyclopentanol backbone and aromatic substituents, requiring specific handling conditions for optimal performance.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazole functionality makes it valuable in the development of antifungal compounds, while the chlorophenyl group provides specific biological activity. The compound serves as a building block in organic synthesis for creating more complex molecules with desired therapeutic or agricultural properties.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol requires careful handling due to its reproductive toxicity and acute toxicity classification. Workers must wear appropriate personal protective equipment including gloves, safety glasses, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion, and implement proper hygiene measures including hand washing after handling.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements with pictograms GHS07, GHS08, and GHS09. Storage areas should be secure and accessible only to trained personnel. Maintain temperatures within recommended ranges and protect from direct sunlight and moisture to preserve product integrity and prevent degradation.

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

Immediate action is required upon contact with 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific emergency procedures.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol must be disposed of according to local, national, and international hazardous waste regulations due to its toxicity classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into sewers, water courses, or onto the ground. Empty containers should also be treated as hazardous waste. Maintain proper documentation of all disposal activities for regulatory compliance.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires appropriate packaging, labeling, and documentation according to ADR regulations for dangerous goods. Vehicles must be properly placarded and drivers must hold valid ADR certification. Shipping documents must include proper shipping names, hazard classes, and emergency response information. Ensure compliance with all applicable transport regulations.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is subject to REACH regulation for chemical registration and CLP regulation for classification and labeling in Europe. The compound is not currently identified as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, proper classification as Repr. 2, Acute Tox. 4, and Aquatic Chronic 2, and implement appropriate risk management measures throughout the supply chain.

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

5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chain management and regulatory compliance support for this compound. As an established chemical distributor, OYSI ensures proper handling, documentation, and delivery of hazardous chemicals while maintaining full compliance with European regulations including REACH and ADR transport requirements.

Services for 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

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5-[(4-chlorophenyl)methyl]-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.