1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

Basic Information

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CAS Number

43121-43-3

Molecular Formula

C14H16ClN3O2

Molecular Weight

293.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

82 ºC

Boiling Point

441.9 oC at 760 mmHg

Water Solubility

0.026 g/100 mL

Flash Point

11 °C

Refractive Index

1.5388 (estimate)

SMILES

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CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1

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

InChIKey

WURBVZBTWMNKQT-UHFFFAOYSA-N

LogP

3.1243000000000016

Topological Polar Surface Area

57.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

338

Safety Information

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GHS Hazard Pictograms

H302

H317

H411

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male, female rats (mg/kg): 568, 363 orally (Michel, Pourcharesse)

Synonyms & References

English

1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-1-(1,2,4-TRIAZOL-1-YL)BUTANONE
1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YL)-2-BUTANONE
1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-1,2,4-TRIAZOL-1-YL-2-BUTANONE
1-(tert-Butylcarbonyl-(4-chlorophenoxy)methyl)-1H-1,2,4-triazole
ACIZOL
Amiral
AMIRAL(R)
BAYLETON
BAYLETON(R)
BAY MEB 6447
DAYTON
FENXIUNIN
HALETON
MILTEK
NUREX
OTRIA
ROFON
SAMETON
TRIADIMEFON
Triadimefon solution
Pesticide Mix 10
(RS)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
100μg
2,4,6-TriMethylbenzoyl chloride
Azocene
rac-(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
TYPHON
Triadimefon

MDL Number

MFCD00055506

Customs Code

2933990014

FAQ

What is 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3)?

1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3) is a synthetic organic compound with the molecular formula C12H14ClN4O2. It features a butanone backbone substituted with a 4-chlorophenoxy group and a 1H-1,2,4-triazole ring, making it a versatile intermediate in chemical synthesis. The compound is known for its stability under standard conditions and is commonly used in research and industrial applications.

What are the main uses of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3)?

This compound is primarily used in pharmaceutical research as a key intermediate for developing agrochemicals and medicinal compounds. It finds applications in the synthesis of herbicides, insecticides, and drug molecules due to its functional groups. Additionally, it is utilized in organic chemistry for creating derivatives with tailored biological activities, supporting research in biochemistry and materials science.

Is 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3) safe?

Safety of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3) depends on handling conditions. While it is generally considered safe in controlled environments, exposure may pose risks. Proper protective equipment, such as gloves and goggles, and adequate ventilation are recommended. Always follow safety data sheet guidelines and regulatory standards for safe use in laboratories or industrial settings.

How should 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3) be stored?

Store 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (CAS: 43121-43-3) in a cool, dry, and dark place, ideally at 2-8°C. Keep it in tightly sealed, airtight containers to prevent moisture ingress. Avoid exposure to light and air to maintain stability. Ensure storage complies with chemical safety regulations to minimize risks of degradation or contamination.