2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
C18H24ClN3O
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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 a triazole-containing organic compound with antifungal properties and complex cyclopentanol structure. This specialized chemical compound belongs to the triazole family of antifungal agents, characterized by its distinctive molecular structure featuring a cyclopentanol core substituted with a 4-chlorophenyl group, an isopropyl moiety, and a triazole ring system. With a molecular formula of C18H24ClN3O and molecular weight of 333.9 g/mol, this substance exhibits significant biological activity due to its triazole functionality, which is known for interfering with ergosterol biosynthesis in fungal cell membranes. The compound presents several important safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 4), specific target organ toxicity following repeated exposure (STOT RE 2), and chronic aquatic toxicity (Aquatic Chronic 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial applications. The substance carries the signal word "Danger" and is associated with GHS pictograms GHS08, GHS07, and GHS09, indicating health hazards, acute toxicity, and environmental concerns respectively. Primary industrial applications include fungicidal formulations for agricultural crop protection, specialty antimicrobial treatments, and pharmaceutical intermediate synthesis. The compound's structural complexity makes it valuable in developing targeted antifungal solutions where conventional treatments may prove insufficient. Unlike simpler aromatic compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, this triazole derivative offers enhanced specificity and potency in antifungal applications. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality triazole-based chemical intermediates.
Safety & Classification
Repr. 1B; Acute Tox. 4; STOT RE 2; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Ipconazol (ISO) |
| Marine Pollutant | No |
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 an organic compound with the CAS number 125225-28-7 and molecular formula C18H24ClN3O. This complex molecule has a molecular weight of 333.9 g/mol and contains a cyclopentanol core structure with chlorophenyl and triazole substituents. It is classified as a hazardous substance with reproductive toxicity, acute toxicity, and environmental hazard properties.
What are the physicochemical properties of 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 solid organic compound at room temperature with a molecular weight of 333.9 g/mol. The presence of the hydroxyl group suggests some polarity, while the aromatic chlorophenyl group contributes to its lipophilic character. The triazole ring system adds to its chemical complexity and potentially influences its solubility properties in various solvents.
What is 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol used for?
2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique triazole and chlorophenyl structural features make it valuable for developing specialized compounds in research and industrial applications. The compound may serve as a building block for more complex molecules or as an active ingredient precursor in certain formulations.
How to handle 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Acute Tox. 4 and Repr. 1B classifications. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion, as the compound poses reproductive toxicity risks. Use proper handling techniques including secondary containment and ensure personnel are trained in chemical safety procedures.
How to store 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol correctly?
Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly sealed and labeled according to GHS requirements with appropriate pictogrammes (GHS07, GHS08, GHS09). Store separately from oxidizing agents and strong bases due to potential chemical incompatibilities. Implement appropriate containment measures to prevent environmental release, given its Aquatic Chronic 1 classification and associated environmental hazards.
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 first aid measures include removing contaminated clothing and washing affected skin thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. Given the reproductive toxicity (Repr. 1B) and acute toxicity classifications, seek immediate medical attention for any significant exposure and provide the safety data sheet to medical personnel.
How to dispose of 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol appropriately?
Disposal must comply with local, national, and EU waste regulations due to its hazardous classification. The compound requires treatment as hazardous waste and should be disposed of through licensed waste management companies specializing in chemical waste. Do not discharge to sewers or the environment given its Aquatic Chronic 1 classification. Incineration at authorized facilities may be appropriate, following proper waste classification and documentation procedures.
How to transport 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
Transportation follows ADR Class 9 (Miscellaneous dangerous goods), Packing Group III requirements. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 labels, and transport documentation including dangerous goods declarations. Packages must be secured to prevent damage during transit, and drivers require ADR certification. Emergency response information must accompany shipments, and environmental precautions are necessary due to the compound's aquatic toxicity classification.
Is 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol subject to specific regulations?
The compound is subject to multiple EU regulations including REACH registration requirements for manufacture or import above threshold quantities. CLP regulation mandates specific classification as Repr. 1B, Acute Tox. 4, STOT RE 2, and Aquatic Chronic 1 with corresponding labeling requirements. While not currently listed as SVHC, its reproductive toxicity classification means it may face future regulatory restrictions and requires careful monitoring of regulatory developments.
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 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol, providing quality chemicals with proper documentation and regulatory compliance. As a specialized chemical distributor, OYSI ensures appropriate packaging, labeling, and transport arrangements throughout Europe. Contact OYSI directly for availability, technical specifications, and pricing information, along with comprehensive safety data sheets and regulatory documentation required for this hazardous substance.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.