2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
C15H18ClN3O
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Identification
- CAS Number
- 94361-06-5
- UN Number
- 3077
- Index Number
- 650-032-00-X
- PubChem CID
- 86132
Physical-chemical properties
- Molecular Formula
- C15H18ClN3O
- Molar Mass
- 291.77 g/mol
- IUPAC Name
- 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Chemical Identifiers
- InChI
- InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
- InChI Key
- UFNOUKDBUJZYDE-UHFFFAOYSA-N
Overview
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CAS 94361-06-5) is a triazole-containing organic compound with fungicidal properties and complex molecular structure. This specialized chemical compound represents a sophisticated example of modern synthetic chemistry, featuring a unique combination of structural elements including a chlorinated aromatic ring, a cyclopropyl group, and a triazole moiety. With the molecular formula C15H18ClN3O and a molecular weight of 291.77 g/mol, this substance demonstrates the intricate design typical of advanced pharmaceutical and agrochemical intermediates. The compound's safety profile requires careful handling protocols, as it carries multiple hazard classifications including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 3), and specific target organ toxicity with repeated exposure (STOT RE 2). Additionally, it presents significant environmental concerns with both acute and chronic aquatic toxicity classifications. The presence of GHS08, GHS06, and GHS09 pictograms with the signal word "Danger" emphasizes the importance of proper safety measures during storage, handling, and transport operations. In industrial applications, this compound finds primary use as a fungicidal active ingredient and as an intermediate in pharmaceutical synthesis. Its triazole structure makes it particularly valuable in crop protection formulations, where it contributes to broad-spectrum antifungal activity. The compound also serves as a key building block in specialty chemical manufacturing, similar to how related compounds like 2-(trichloromethylsulfanyl)isoindole-1,3-dione function in their respective applications. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers requiring high-purity chemical intermediates.
Safety & Classification
Repr. 1B; Acute Tox. 3; STOT RE 2; Aquatic Acute 1; 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 | Cyproconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is an organic compound with the molecular formula C15H18ClN3O and CAS number 94361-06-5. This chemical substance has a molecular weight of 291.77 g/mol and contains a chlorophenyl group, a cyclopropyl ring, and a triazole moiety. It is classified as a hazardous substance with reproductive toxicity, acute toxicity, and environmental hazard properties.
What are the physico-chemical properties of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is a complex organic molecule with a molecular weight of 291.77 g/mol. The compound contains multiple functional groups including an alcohol group (-OH), a chlorinated aromatic ring, and a heterocyclic triazole ring. Its structure suggests it would likely be a solid at room temperature with limited water solubility due to its organic nature and aromatic components.
What is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol used for?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing triazole and chlorophenyl groups makes it valuable for developing active pharmaceutical ingredients or pesticide formulations. The compound is typically used in research and development applications within the chemical industry, particularly for specialized synthetic processes requiring its specific molecular framework.
How to handle 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol safely?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol requires strict safety measures due to its Repr. 1B and Acute Tox. 3 classifications. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Handle only trained personnel should work with this substance following established safety protocols.
How to store 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol properly?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled. Due to its hazardous classifications, store in designated areas with restricted access and appropriate containment measures. Avoid storage near oxidizing agents, acids, or bases. Maintain storage temperatures as recommended by the manufacturer to ensure product stability and safety.
What to do in case of contact with 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
Immediate medical attention is required for contact with 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water. For eye contact, flush immediately with water for at least 15 minutes. If inhaled, move to fresh air. If ingested, do not induce vomiting and seek immediate medical attention. Contact poison control centers and provide safety data sheet information.
How to dispose of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol appropriately?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol must be disposed of as hazardous waste through licensed waste management companies. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to waterways or soil. Follow local and national waste disposal regulations. Incineration at approved facilities may be required for complete destruction. Never dispose through normal waste streams or pour down drains.
How to transport 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires proper packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and display appropriate hazard labels including GHS pictograms (GHS06, GHS08, GHS09). Ensure carriers are trained in dangerous goods handling and emergency procedures. Follow international transportation regulations for hazardous materials.
Is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol subject to specific regulations?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is subject to REACH regulation in Europe and must comply with CLP classification requirements. The substance is classified with hazard classes including Repr. 1B, Acute Tox. 3, STOT RE 2, and aquatic toxicity categories. It is not currently listed as an SVHC (Substance of Very High Concern). Suppliers must provide safety data sheets and ensure proper classification and labeling.
Where to buy 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol in Europe?
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified customers in the pharmaceutical, agrochemical, and research sectors. Due to its hazardous nature, purchases require proper documentation and compliance with regulatory requirements. Contact OYSI directly for availability, technical specifications, and regulatory documentation to ensure proper handling and compliance.
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ADR Consulting for 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-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.