1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
C15H19Cl2N3O
Consulting for 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
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Identification
- CAS Number
- 75736-33-3
- UN Number
- 3077
- Index Number
- 613-122-00-X
- PubChem CID
- 53309
Physical-chemical properties
- Molecular Formula
- C15H19Cl2N3O
- Molar Mass
- 328.20 g/mol
- IUPAC Name
- 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Chemical Identifiers
- InChI
- InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
- InChI Key
- URDNHJIVMYZFRT-UHFFFAOYSA-N
Overview
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol (CAS 75736-33-3) is an organochlorine compound featuring triazole functionality with antifungal properties. This specialized chemical compound, with molecular formula C15H19Cl2N3O and molecular weight 328.2 g/mol, belongs to the triazole family of antifungal agents. The molecule features a distinctive structure combining a dichlorophenyl group with a triazole ring system, connected through a substituted pentanol backbone. This structural arrangement provides the compound with its characteristic biological activity and chemical stability. The substance is classified under GHS hazard categories as Eye Irritant Category 2 and Aquatic Chronic Toxicity Category 2, requiring appropriate handling precautions indicated by the Warning signal word and corresponding GHS07 and GHS09 pictograms. As a Class 9 material under ADR transport regulations, it requires specific packaging and documentation for shipping purposes. Safety considerations include potential eye irritation upon contact and environmental persistence that may affect aquatic ecosystems. Proper personal protective equipment, including eye protection and chemical-resistant gloves, should be used during handling. Storage should maintain controlled temperature conditions away from incompatible materials. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, particularly for antifungal drug development, and as a specialized reagent in agrochemical formulations. The compound also finds application in research and development for new therapeutic agents, where its triazole functionality provides valuable biological activity. Unlike simpler compounds such as triphenyl phosphite or 2-methylpropyl 2-(oxiran-2-yl)acetate, this molecule offers specific antifungal properties essential for targeted applications. OYSI maintains reliable supply chains for this technical-grade compound, supporting European industrial and research customers with consistent quality and regulatory compliance.
Safety & Classification
Eye Irrit. 2; Aquatic Chronic 2
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
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 | Diclobutrazol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is an organic chemical compound with the molecular formula C15H19Cl2N3O and a molecular weight of 328.2 g/mol. This substance contains a dichlorophenyl group and a triazole ring system, making it a complex heterocyclic compound. It is classified as CAS number 75736-33-3 and presents moderate hazards including eye irritation and aquatic toxicity according to GHS classification.
What are the physicochemical properties of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is a solid compound at room temperature with a molecular weight of 328.2 g/mol. The presence of the hydroxyl group and triazole ring influences its polarity and solubility characteristics. The dichlorophenyl moiety contributes to its lipophilic properties. Specific physical properties such as melting point, boiling point, and exact solubility data should be obtained from detailed technical datasheets for precise handling requirements.
What is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol used for?
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The triazole moiety and dichlorophenyl structure make it valuable for developing fungicides, pharmaceuticals, and other bioactive compounds. It serves as a building block in organic synthesis for creating more complex molecules with specific biological activities. Industrial applications focus on specialty chemical manufacturing and research and development sectors.
How to safely handle 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
Safe handling of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol requires appropriate personal protective equipment including safety goggles, gloves, and protective clothing to prevent eye and skin contact. Work in well-ventilated areas or under fume extraction systems. Avoid generating dust or aerosols. The substance carries a Warning signal word and requires precautions against eye irritation. Always follow good laboratory practices and consult the safety data sheet for complete handling procedures.
How to properly store 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
Proper storage of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol requires a cool, dry, well-ventilated area away from incompatible materials. Store in tightly sealed original containers to prevent contamination and moisture absorption. Keep away from sources of ignition, heat, and direct sunlight. Due to its aquatic toxicity classification, ensure proper containment to prevent environmental release. Follow local regulations for chemical storage and maintain appropriate inventory records.
What to do in case of contact with 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
In case of eye contact with 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol, immediately flush with plenty of clean water for at least 15 minutes and seek medical attention due to its Eye Irritant 2 classification. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. In case of ingestion, do not induce vomiting and seek immediate medical advice. Always consult the safety data sheet for complete first aid procedures.
How to properly dispose of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
Proper disposal of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol must follow local and national hazardous waste regulations. Due to its Aquatic Chronic 2 classification, prevent release to waterways and environment. Arrange disposal through licensed hazardous waste contractors who can handle chemical waste appropriately. Incineration at authorized facilities may be suitable for organic compounds. Never dispose of via regular waste streams or sewage systems. Consult local environmental authorities for specific disposal requirements in your region.
How to transport 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
Transportation of 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol follows ADR Class 9 regulations as miscellaneous dangerous goods, Packing Group III. This classification requires appropriate packaging, labeling, and documentation for road transport. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles need suitable placarding and emergency information. Ensure compliance with international dangerous goods regulations for air, sea, or rail transport. Use certified packaging and follow carrier-specific requirements for safe transportation.
Is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol subject to specific regulations?
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is subject to standard chemical regulations including REACH registration requirements in Europe and GHS classification globally. The substance is not currently listed as SVHC (Substance of Very High Concern). It must comply with CLP regulation for classification, labeling, and packaging. Transport follows ADR Class 9 dangerous goods regulations. Companies handling this substance must maintain safety data sheets, conduct risk assessments, and implement appropriate control measures according to occupational health and safety legislation.
Where to buy 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol in Europe?
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for specialty chemicals across European markets, ensuring proper handling, documentation, and regulatory compliance. As a professional chemical distributor, OYSI offers technical support, safety data sheets, and certificates of analysis. Contact OYSI directly for availability, specifications, and delivery options to meet your specific requirements for this specialized chemical compound.
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1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-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.