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 organohalogen compound featuring triazole and phenoxy functional groups with selective biological activity. This specialized chemical compound, also referenced under EC number 256-103-8, represents a significant class of heterocyclic organic molecules incorporating both triazole and chlorophenoxy structural elements. With a molecular formula of C14H16ClN3O2 and molecular weight of 293.75 g/mol, this substance demonstrates the complex architecture typical of modern synthetic organic compounds designed for specific industrial applications. The compound exhibits notable safety characteristics that require careful handling protocols. Classified under GHS pictograms GHS07 and GHS09 with a "Warning" signal word, it presents acute toxicity (Category 4), skin sensitization potential (Category 1), and chronic aquatic toxicity (Category 2). Transportation falls under ADR Class 9, indicating it requires specialized logistics considerations for safe distribution. From a structural perspective, the presence of the 1,2,4-triazol-1-yl group provides unique reactivity patterns, while the 4-chlorophenoxy moiety contributes to the compound's stability and selectivity profile. This combination makes it particularly valuable in applications requiring precise molecular recognition or selective biological activity. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialty chemical manufacturing. The compound's structural similarity to other specialized chemicals such as 2-chloro-6-(ethylamino)-4-nitrophenol highlights its position within the broader category of halogenated organic compounds used in advanced chemical processes. OYSI maintains reliable supply chains for this technical compound, ensuring consistent availability for European industrial customers requiring high-purity specialty chemicals.

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. It is classified as a hazardous substance with acute toxicity, skin sensitization properties, and potential environmental impact on aquatic organisms.

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 has a molecular weight of 293.75 g/mol and molecular formula C14H16ClN3O2. The compound features a ketone functional group, a triazole ring, and a chlorinated phenoxy moiety. Specific physical properties such as melting point, boiling point, and solubility characteristics should be verified through technical data sheets from suppliers for accurate 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 chemical synthesis and research applications. Its triazole functional group makes it valuable for pharmaceutical intermediates and agricultural chemistry applications. The compound may serve as a building block for developing fungicides, pharmaceuticals, or other specialty chemicals requiring triazole-containing structures. Industrial applications should be verified with technical specialists for specific use cases.

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. Wear appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing. Ensure adequate ventilation in work areas and avoid skin contact and inhalation. Handle in accordance with GHS07 pictogram requirements and follow established chemical safety protocols for hazardous substances.

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 a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and heat sources. Due to its environmental classification (Aquatic Chronic 2), ensure secondary containment to prevent environmental release. Store according to local regulations for hazardous chemicals and maintain appropriate labeling with GHS07 and GHS09 pictograms.

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 if contact occurs 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, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with water for at least 15 minutes. If inhaled, move to fresh air. Seek medical attention if irritation persists or symptoms develop, and provide safety data sheet to medical personnel.

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 waste according to local and national regulations. Due to its environmental classification (Aquatic Chronic 2), prevent release to waterways or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not dispose of in regular waste streams or pour down drains. Maintain waste documentation and follow all applicable environmental regulations for chemical waste disposal.

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 transport purposes. This classification requires appropriate packaging, labeling, and documentation for shipping. Use UN-approved packaging and ensure proper hazard labeling during transport. Follow ADR regulations for Class 9 substances and provide appropriate transport documentation including safety data sheets to carriers and recipients.

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 not currently identified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it is subject to CLP classification requirements with Warning signal word and specific hazard classifications (Acute Tox. 4, Skin Sens. 1, Aquatic Chronic 2). Users must comply with ADR transport regulations (Class 9) and follow appropriate safety measures according to GHS pictogram requirements.

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 specialized European distributor of chemical products. OYSI provides this substance with full regulatory compliance including proper CLP labeling, safety data sheets, and transport documentation. As an established chemical distributor, OYSI ensures quality standards and regulatory compliance for industrial and research customers across Europe requiring this specialized chemical compound.

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.