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

C18H24ClN3O

CAS125225-28-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
125225-28-7
UN Number
3077
Index Number
603-237-00-3
PubChem CID
86211

Physical-chemical properties

Molecular Formula
C18H24ClN3O
Molar Mass
333.90 g/mol
IUPAC Name
2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Chemical Identifiers

InChI
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
InChI Key
QTYCMDBMOLSEAM-UHFFFAOYSA-N

Overview

2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CAS 125225-28-7) is an organochlorine compound with triazole functionality and tertiary alcohol properties. This complex organic molecule belongs to the triazole alcohol family and exhibits significant biological activity due to its unique structural features. With a molecular formula of C18H24ClN3O and molecular weight of 333.9 g/mol, this compound combines a chlorinated aromatic ring system with a cyclopentanol core and triazole substituent. The presence of the 4-chlorophenyl group is structurally related to other chlorinated aromatic compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, though with distinctly different applications and properties. The compound presents significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 4), specific target organ toxicity (STOT RE 2), and aquatic chronic toxicity. The GHS pictograms GHS08, GHS07, and GHS09 indicate health hazards, acute toxicity, and environmental dangers respectively. Its ADR classification as Class 9 designates it as a miscellaneous dangerous substance requiring special transport precautions. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, particularly in antifungal agent development, and as a building block for specialized agrochemical formulations. The triazole moiety makes it valuable in medicinal chemistry for developing compounds with enhanced metabolic stability and biological activity. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-purity organochlorine intermediates.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 4; STOT RE 2; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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 NameIpconazol (ISO)
Marine PollutantNo

Frequently Asked Questions

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

2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is a synthetic organic compound with the molecular formula C18H24ClN3O and CAS number 125225-28-7. This molecule features a cyclopentanol core structure substituted with a chlorophenyl group, an isopropyl group, and a triazole moiety. With a molecular weight of 333.9 g/mol, it represents a complex heterocyclic compound containing chlorine and nitrogen atoms in its structure.

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

This compound is a solid organic substance with a molecular weight of 333.9 g/mol and molecular formula C18H24ClN3O. The presence of the hydroxyl group on the cyclopentane ring suggests moderate polarity, while the chlorophenyl and triazole substituents influence its solubility characteristics. The compound's physical state, exact melting point, and detailed solubility data depend on specific analytical determinations and may vary based on purity and crystalline form.

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

This compound is primarily used as an active ingredient in fungicidal formulations for agricultural applications. The triazole moiety is characteristic of azole fungicides, which work by inhibiting ergosterol biosynthesis in fungal cell membranes. It may be employed in crop protection products to control various fungal diseases in agricultural and horticultural settings, contributing to plant health management and yield protection in commercial farming operations.

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

This substance requires careful handling due to its classification as Repr. 1B and Acute Tox. 4, indicated by GHS08 and GHS07 pictograms. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke while handling. Wash hands thoroughly after use and follow strict hygiene protocols.

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

This compound should be stored in tightly sealed original containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Due to its reproductive toxicity classification (Repr. 1B), implement restricted access controls and appropriate labeling. Store separately from incompatible materials, food, and animal feed. Maintain storage temperature within recommended ranges and ensure containers are properly labeled with hazard information. Regular inventory checks and proper record-keeping are essential.

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

Immediate action is required following any exposure to this substance. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 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 a physician and provide the safety data sheet.

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

This substance requires disposal through authorized hazardous waste management facilities due to its toxic and environmental hazard classifications. Never dispose of in regular waste, sewers, or soil due to its Aquatic Chronic 1 classification (GHS09 pictogram). Contact licensed waste disposal companies specializing in chemical waste treatment. Maintain proper documentation for waste tracking and comply with local, national, and EU waste regulations including the Waste Framework Directive requirements.

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

This substance is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. It requires appropriate dangerous goods packaging, marking, and labeling according to ADR regulations. Transport documents must include proper shipping names and hazard identification. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. Ensure packages are properly secured and protected from damage during transit while maintaining required separation distances.

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

This substance is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently identified as a SVHC, its Repr. 1B classification subjects it to strict labeling and safety data sheet requirements. It may fall under biocidal or plant protection product regulations if used in such applications. Companies must comply with occupational exposure limits, environmental discharge restrictions, and proper notification procedures under relevant EU legislation.

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

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade supply to qualified industrial and research customers. As an established chemical distributor, OYSI ensures proper documentation, regulatory compliance, and appropriate packaging for safe delivery across Europe. Contact OYSI's technical sales team for availability, specifications, and pricing information. All purchases require verification of intended use and appropriate handling capabilities due to the substance's hazard classification.

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

ADR Consulting for 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is a dangerous good. We support you with labeling, packaging, and transport documentation.

Request ADR Advice

Data Sources

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