5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
C15H14Cl2N2O3
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Identification
- CAS Number
- 39807-15-3
- EC Number
- 254-637-6
- UN Number
- 3077
- Index Number
- 613-204-00-5
- PubChem CID
- 94498
Physical-chemical properties
- Molecular Formula
- C15H14Cl2N2O3
- Molar Mass
- 341.20 g/mol
- IUPAC Name
- 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Chemical Identifiers
- InChI
- InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3
- InChI Key
- DVOODWOZJVJKQR-UHFFFAOYSA-N
Overview
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one (CAS 39807-15-3) is a synthetic oxadiazole derivative with pesticide properties and environmental persistence characteristics. This specialized heterocyclic compound belongs to the oxadiazole family, featuring a distinctive molecular structure that combines a tert-butyl group with a dichlorinated phenyl ring connected through a propynoxy linkage. With the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.2 g/mol, this substance exhibits unique chemical properties that make it valuable in various industrial applications. The compound is officially registered under EC number 254-637-6 and is classified according to current European chemical safety regulations. The safety profile of this oxadiazole derivative requires careful consideration, as it carries a Warning signal word and is associated with GHS08 and GHS09 pictograms. The substance is classified as a Category 2 reproductive toxicant and specific target organ toxicant with repeated exposure, while also presenting significant aquatic toxicity concerns with both acute and chronic effects on aquatic environments. These characteristics place it in ADR Class 9 for transportation purposes, necessitating appropriate handling protocols and specialized storage conditions. Industrial applications of this compound typically involve its use as an active ingredient in crop protection formulations, where its molecular structure provides effective biological activity. Unlike simpler carbamate compounds such as propan-2-yl N-(3-chlorophenyl)carbamate, this oxadiazole derivative offers enhanced stability and targeted action mechanisms. The compound also finds specialized applications in research and development of new agrochemical products. OYSI maintains reliable supply chains for this technical-grade chemical compound, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Repr. 2; 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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Oxadiargyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is an organic chemical compound with CAS number 39807-15-3 and molecular formula C15H14Cl2N2O3. This oxadiazole derivative features a tert-butyl group and dichlorophenyl moiety, giving it a molecular weight of 341.2 g/mol. The compound is classified as hazardous with reproductive toxicity and environmental risks, requiring careful handling in industrial applications.
What are the physicochemical properties of 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 341.2 g/mol and contains chlorine substituents that influence its chemical behavior. The oxadiazole ring system and propynoxy group contribute to its structural stability. Specific physical properties such as melting point, boiling point, and solubility characteristics should be obtained from detailed technical specifications or safety data sheets for accurate handling and processing requirements.
What is 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one used for?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is primarily used in specialized industrial and research applications where oxadiazole derivatives are required. Its unique chemical structure makes it valuable for synthetic chemistry processes and potentially as an intermediate in pharmaceutical or agrochemical manufacturing. The compound's specific applications depend on its reactivity profile and the requirements of downstream chemical processes in professional industrial settings.
How to handle 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one safely?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one requires careful handling due to its Repr. 2 and STOT RE 2 classifications. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety glasses, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Follow proper hygiene practices and ensure emergency procedures are readily available before handling.
How to store 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one correctly?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture, heat, and direct sunlight. Store in appropriate chemical storage cabinets designed for hazardous substances. Ensure storage areas are equipped with spill containment measures and maintain proper inventory records. Check container integrity regularly and follow facility-specific hazardous material storage protocols.
What to do in case of contact with 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one?
Immediate first aid measures for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one contact include: skin contact - remove contaminated clothing and wash thoroughly with soap and water; eye contact - rinse immediately with plenty of clean water for at least 15 minutes; inhalation - move to fresh air immediately; ingestion - do not induce vomiting, rinse mouth with water. Seek immediate medical attention in all cases and provide safety data sheet to medical personnel.
How to dispose of 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one appropriately?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one must be disposed of as hazardous waste according to local, national, and European regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into drains, waterways, or soil due to its aquatic toxicity classification. Maintain waste documentation and follow facility waste management procedures. Consider waste minimization strategies and recovery options where technically and economically feasible.
How to transport 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate packaging materials that meet UN specification requirements for Class 9 substances. Ensure proper labeling with GHS08 and GHS09 pictograms and Warning signal word. Drivers must have appropriate ADR training and vehicles must carry required safety equipment. Follow ADR regulations for documentation, routing, and emergency response procedures.
Is 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one subject to specific regulations?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC, its hazard classifications (Repr. 2, STOT RE 2, Aquatic toxicity) trigger specific labeling, safety data sheet, and risk assessment requirements. Users must comply with occupational exposure limits, environmental discharge restrictions, and waste management regulations applicable in their jurisdiction.
Where to buy 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one in Europe?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to industrial and research customers across Europe with proper regulatory compliance and technical support. As a professional chemical distributor, OYSI ensures appropriate packaging, documentation, and handling procedures for hazardous substances. Contact OYSI directly for availability, specifications, and purchasing information for your specific requirements.
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ADR Consulting for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one 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.