2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H13Cl2N3O2

CAS68049-83-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
68049-83-2
UN Number
3077
Index Number
611-140-00-2
PubChem CID
443029

Physical-chemical properties

Molecular Formula
C15H13Cl2N3O2
Molar Mass
338.20 g/mol
IUPAC Name
2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

Chemical Identifiers

InChI
InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2
InChI Key
XOEMATDHVZOBSG-UHFFFAOYSA-N

Overview

2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CAS 68049-83-2) is a heterocyclic compound with triazolopyridinone structure featuring dichlorophenyl and propynoxy substituents. This complex organic molecule combines a triazolo[4,3-a]pyridin-3-one core with a substituted phenyl ring, creating a compound with unique chemical properties and biological activity. The molecular formula C15H13Cl2N3O2 reflects its composition including two chlorine atoms, multiple nitrogen centers, and an alkyne functionality through the prop-2-ynoxy group. With a molecular weight of 338.2 g/mol, this substance represents an advanced intermediate or active component in specialized chemical applications. The compound exhibits significant safety considerations, classified as Repr. 1B (reproductive toxicity), STOT RE 2 (specific target organ toxicity), and both Aquatic Acute 1 and Aquatic Chronic 1 for environmental hazards. The "Danger" signal word and associated GHS08 and GHS09 pictograms emphasize the need for careful handling protocols and appropriate personal protective equipment during processing and storage. Industrial applications typically include pharmaceutical intermediate synthesis, agrochemical development, and specialized research applications where the unique triazolopyridinone structure provides specific reactivity patterns. The compound's structural complexity makes it valuable in synthetic pathways requiring precise functional group positioning, similar to other chlorinated aromatic compounds like 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline used in pharmaceutical synthesis. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), requiring compliance with specific packaging and documentation requirements for safe logistics management. OYSI maintains technical-grade availability of 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one for qualified industrial customers across European markets.

Safety & Classification

Danger
Classification:

Repr. 1B; STOT RE 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameAzafenidin
Marine PollutantNo

Frequently Asked Questions

What is 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?

2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is a complex organic compound with the CAS number 68049-83-2 and molecular formula C15H13Cl2N3O2. This substance has a molecular weight of 338.2 g/mol and contains chlorine atoms, a triazolo-pyridinone core structure, and a propynoxy side chain, making it a specialized chemical compound used in industrial applications.

What are the physicochemical properties of 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?

This compound is an organic solid with a molecular weight of 338.2 g/mol and contains two chlorine substituents on the aromatic ring. The presence of the triazolo-pyridinone structure and propynoxy group contributes to its chemical stability and specific reactivity profile. Detailed physical properties such as melting point, solubility, and appearance may vary depending on the specific grade and purity of the material.

What is 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one used for?

This specialized organic compound is primarily used as an intermediate in pharmaceutical synthesis and chemical research applications. Its complex heterocyclic structure makes it valuable for developing biologically active compounds and advanced materials. The compound may also serve as a building block in the synthesis of more complex molecules for industrial and research purposes.

How to handle 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one safely?

Safe handling requires appropriate personal protective equipment including gloves, safety goggles, and protective clothing due to its Repr. 1B and STOT RE 2 classifications. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid skin contact, inhalation, and ingestion. Follow GHS08 and GHS09 pictogram warnings, implementing proper containment measures to prevent environmental release.

How to store 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one correctly?

Store this compound in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled according to CLP regulations. Given its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), ensure secondary containment to prevent environmental release. Store separately from oxidizing agents and reactive chemicals.

What to do in case of contact with 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?

In case of skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, flush with clean water for 15 minutes and seek medical attention. For inhalation, move to fresh air immediately. Given its reproductive toxicity classification (Repr. 1B), seek immediate medical attention for any significant exposure.

How to dispose of 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one appropriately?

Disposal must comply with local and European waste regulations, treating it as hazardous waste due to its toxicity profile. Contact licensed waste disposal companies specializing in chemical waste management. Do not discharge into waterways or sewers given its high aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Incineration at appropriate facilities may be required following proper waste classification procedures.

How to transport 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?

This substance is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, requiring appropriate packaging and documentation for transport. Use UN-specification packaging with proper labeling including GHS08 and GHS09 pictograms. Transport documents must include the correct shipping name, UN number, and hazard class. Ensure carriers are trained in dangerous goods transport regulations.

Is 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one subject to specific regulations?

This compound is subject to REACH registration requirements and CLP classification regulations within the European Union. It requires hazard classification as Repr. 1B, STOT RE 2, Aquatic Acute 1, and Aquatic Chronic 1. While not currently listed as an SVHC, its reproductive toxicity classification means it may be subject to authorization procedures and use restrictions under REACH Annex XVII.

Where to buy 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, providing quality products with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures appropriate packaging, safety data sheets, and regulatory compliance for European customers. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Services for 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

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2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.