5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
C15H14Cl2N2O3
Consulting for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Our experts support you with application, dosage, and compliance.
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 chlorinated oxadiazole compound with pesticide applications and significant environmental persistence. This specialized heterocyclic compound belongs to the oxadiazole family, characterized by its five-membered ring containing two nitrogen atoms and one oxygen atom. The molecular structure features a tert-butyl group and a dichlorophenyl moiety linked through a propynoxy bridge, resulting in a molecular formula of C15H14Cl2N2O3 with a molecular weight of 341.2 g/mol. The presence of multiple chlorine atoms and the oxadiazole core contributes to its stability and biological activity profile. Safety considerations are paramount when handling this compound, as it carries significant hazard classifications including reproductive toxicity (Category 2) and specific target organ toxicity following repeated exposure. The substance poses acute and chronic aquatic hazards, reflecting its environmental persistence and potential bioaccumulation. Proper protective equipment and containment measures are essential during storage, handling, and application procedures. Industrial applications primarily center on crop protection formulations, where this compound serves as an active ingredient in selective herbicide products. Its mechanism of action and selectivity profile make it valuable for specific agricultural applications requiring persistent weed control. The compound shares certain structural features with other agrochemical intermediates, including propan-2-yl N-(3-chlorophenyl)carbamate, which also contains chlorinated aromatic systems used in pesticide applications. Transportation requirements classify this material under ADR Class 9 (miscellaneous dangerous substances), necessitating appropriate documentation and packaging protocols. OYSI maintains technical-grade supplies of this compound for qualified industrial customers requiring specialized crop protection intermediates.
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 compound with the molecular formula C15H14Cl2N2O3 and CAS number 39807-15-3. This oxadiazolone derivative has a molecular weight of 341.2 g/mol and contains chlorine substituents and a propynoxy group. It is classified as a hazardous substance with reproductive toxicity and specific target organ toxicity properties, 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 is an organic solid compound with a complex heterocyclic structure. The molecule contains two chlorine atoms, nitrogen atoms in the oxadiazole ring, and oxygen atoms contributing to its polarity. Its molecular structure suggests limited water solubility due to the aromatic rings and tert-butyl group, while the polar functional groups may provide some solubility in organic solvents.
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 as an intermediate in chemical synthesis and pharmaceutical research. Its oxadiazolone structure makes it valuable in organic chemistry applications, particularly in the development of bioactive compounds. The compound may serve as a building block for more complex molecules in research and development processes within the chemical and pharmaceutical industries.
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. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact and ingestion. The Warning signal word indicates moderate hazard levels requiring standard laboratory safety protocols.
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 place away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials and ensure proper labeling with hazard information. Given its aquatic toxicity classification, prevent environmental release and store in secondary containment where appropriate to protect groundwater and surface water.
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?
In case of skin contact with 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one, immediately wash with soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Given its reproductive toxicity classification, inform medical personnel of the specific chemical involved.
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 due to its toxicity classifications. Contact licensed waste disposal companies specializing in chemical waste management. Never discharge into drains, soil, or water bodies due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national regulations for hazardous waste disposal, including proper documentation and tracking requirements.
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. This indicates moderate danger during transport requiring appropriate packaging, labeling, and documentation. Use UN-approved packaging suitable for Class 9 materials and ensure proper shipping papers accompany the shipment. Transport vehicles must comply with ADR regulations and drivers should be trained in hazardous materials handling.
Is 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one subject to special regulations?
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one is subject to REACH regulation requiring registration for manufacture or import above 1 tonne annually. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to CLP regulation with GHS08 and GHS09 pictograms. Transport is regulated under ADR as Class 9 dangerous goods.
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 chemical products. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a European distributor, OYSI ensures REACH compliance and proper handling of hazardous materials classification. Contact OYSI directly for availability, specifications, and pricing information for this specialized chemical compound.
Services for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Order 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Technical Consulting
Application advice for 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
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.