1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

C14H16ClN3O2

CAS43121-43-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
43121-43-3
EC Number
256-103-8
UN Number
3077
Index Number
606-037-00-4
PubChem CID
39385

Physical-chemical properties

Molecular Formula
C14H16ClN3O2
Molar Mass
293.75 g/mol
IUPAC Name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

Chemical Identifiers

InChI
InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
InChI Key
WURBVZBTWMNKQT-UHFFFAOYSA-N

Overview

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one (CAS 43121-43-3) is an organochlorine compound with triazole functionality and ketone properties. This specialized chemical intermediate features a complex molecular structure combining a chlorophenoxy group with a triazole ring system and a branched ketone backbone. With the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol, this compound demonstrates unique reactivity patterns due to its multiple functional groups. The presence of both the 4-chlorophenoxy moiety and the 1,2,4-triazol-1-yl substituent provides distinctive chemical properties that make it valuable for specific synthetic applications. The compound is classified under several hazard categories according to GHS standards, including Acute Toxicity Category 4, Skin Sensitization Category 1, and Aquatic Chronic Toxicity Category 2. These classifications require appropriate handling precautions, including the use of personal protective equipment and proper ventilation systems. The "Warning" signal word and associated GHS07 and GHS09 pictograms indicate moderate toxicity risks and environmental concerns that must be addressed during storage, handling, and transportation under ADR Class 9 regulations. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, agrochemical production, and specialty chemical manufacturing. The triazole functionality makes it particularly relevant in sectors requiring antifungal or bioactive compound development. Unlike simpler compounds such as 2-chloro-6-(ethylamino)-4-nitrophenol, this molecule's complex structure enables more sophisticated synthetic transformations. OYSI maintains reliable supply chains for this technical grade compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

H411

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameTriadimefon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is an organic chemical compound with the molecular formula C14H16ClN3O2 and CAS number 43121-43-3. This substance has a molecular weight of 293.75 g/mol and contains both triazole and chlorophenoxy functional groups in its structure. It is classified as a hazardous substance requiring appropriate safety measures during handling and storage.

What are the physicochemical properties of 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is a synthetic organic compound with a molecular weight of 293.75 g/mol. The presence of the ketone group, chlorinated aromatic ring, and triazole moiety influences its physicochemical behavior. Specific properties such as melting point, boiling point, and solubility characteristics should be obtained from detailed technical data sheets for precise handling and application requirements.

What is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one used for?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is primarily used in specialized chemical applications and research. The triazole functionality suggests potential applications in pharmaceutical intermediates or agrochemical synthesis. Its specific molecular structure makes it suitable for targeted chemical processes where both the chlorophenoxy and triazole groups provide desired reactivity or biological activity profiles.

How to handle 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one safely?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction systems. Avoid inhalation, ingestion, and direct skin contact. Always wash hands thoroughly after handling and follow established chemical safety protocols.

How to store 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one correctly?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright and protected from physical damage. Store away from heat sources, ignition sources, and direct sunlight. Ensure storage areas have appropriate spill containment measures and emergency equipment readily available for safe handling.

What to do in case of contact with 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one?

Immediate action is required upon contact with 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one due to its skin sensitization properties. For skin contact, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes. If inhaled, move to fresh air. Seek medical attention immediately for any exposure, especially if irritation or allergic reactions develop.

How to dispose of 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one appropriately?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one must be disposed of as hazardous chemical waste according to local and national regulations. The substance cannot be disposed of in regular waste streams due to its toxicity and environmental hazard classification. Contact licensed hazardous waste disposal companies for proper collection and treatment. Ensure all containers are properly labeled and documented for waste tracking purposes.

How to transport 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry proper emergency equipment and trained personnel. Ensure packages are secure, properly marked with UN numbers, and accompanied by required transport documents including safety data sheets.

Is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one subject to specific regulations?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is subject to standard European chemical regulations including REACH and CLP classification requirements. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with registration, notification, and safety data sheet requirements. The substance's hazard classifications require appropriate risk management measures and worker protection protocols according to occupational safety regulations.

Where to buy 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in Europe?

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides this compound with complete regulatory compliance, proper packaging, and comprehensive safety documentation. As an established chemical supplier, OYSI ensures product quality, regulatory compliance, and reliable delivery across European markets. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Services for 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

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1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-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.