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

Basic Information

View in Editor

CAS Number

55219-65-3

Molecular Formula

C14H18ClN3O2

Molecular Weight

295.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

112-117°

Boiling Point

465.4 °C at 760 mmHg

Density

1.2990 (rough estimate)

Refractive Index

1.5270 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3

InChIKey

BAZVSMNPJJMILC-UHFFFAOYSA-N

LogP

2.916100000000001

Topological Polar Surface Area

60.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

303

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male, female rats (mg/kg): 1161, 1105 orally; >5000 dermally, 24-hr; LD50 in quail: >10000 mg/kg (Frohberger)

Synonyms & References

English

Triadimenol
1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-
Beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Bayfidan
Baytan
Summit
1-(4-chlorophenoxy)-1(1H-1,2,4-triazole)-3-methyl-2-butyl alcohol
alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
Baytoan
Triadimenol Solution
β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol (Mixture of Diastereomers)
(1Ξ,2Ξ)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
1RS,2SR)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

MDL Number

MFCD00055507

Customs Code

2933990014

FAQ

What regulatory guidelines apply to 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3)?

The compound 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) falls under the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) and is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union. In the United States, it is also subject to FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations for safety and environmental standards.

Are there alternatives to 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) in synthesis?

There are several alternatives to 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) in synthesis, including analogs such as 1-(4-methoxyphenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol and isomers like 1-(4-chlorophenoxy)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol. Common alternative reagents include other triazoles, such as 1H-1,2,4-triazole-1-yl (2-chlorophenyl) methyl and 1-(4-chlorophenoxy)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propan-1-ol.

What is the market or research trend for 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3)?

The market and research trends for 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) are focused on its applications in pharmaceuticals and agrochemicals due to its antimicrobial and pesticidal properties. Recent research indicates a growing interest in its use as a novel fungicide and herbicide. Additionally, there are ongoing studies exploring its potential in cancer treatment and as an anti-inflammatory agent.

How should waste containing 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) be handled?

Waste containing 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 55219-65-3) should be collected in appropriate containers and labeled as hazardous waste. It should be stored in a secure, well-ventilated area and disposed of through a professional waste disposal service. Incineration is a common method for disposal, but environmental protection measures, such as minimizing emissions and proper incineration conditions, should be strictly followed. The waste should also be handled according to local, national, and international regulations.