1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol

Basic Information

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CAS Number

107534-96-3

Molecular Formula

C16H22ClN3O

Molecular Weight

307.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

101.0 to 105.0 deg-C

Boiling Point

476.9°C at 760 mmHg

Water Solubility

32 mg/L at 20 ºC

Refractive Index

1.564

SMILES

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CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2

InChI

InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

InChIKey

PXMNMQRDXWABCY-UHFFFAOYSA-N

LogP

3.3415000000000017

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

326

Safety Information

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GHS Hazard Pictograms

H302

H411

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 9 Class 9

Synonyms & References

English

Tebuconazole
LYNX
Lynx 1.2
LYNX(R)
MATADOR
ELITE
ELITE(R)
FOLICUR
folicur 1.2 ec
2-(BENZYLOXY)-1,3-DICHLOROBENZENE
A-[2-(4-CHLOROPHENYL)ETHYL]-A-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
Tebuconazol
Tebuconazole Solution
(RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H
1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol
1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol,Tebuconazole
HORIZON
rac-(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
RAXIL
α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
(+/-)-alpha-(2-(4-chlorophenyl)ethyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol
GWG 1609
HWG 1608
-ol
Fenetrazole
Terbutrazole
Terbuconazole
Ethyltrianol
Etiltrianol
Preventol A 8
3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol

MDL Number

MFCD02674797

Customs Code

2933990015

FAQ

What is 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3)?

1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3) is a chemical compound characterized by its complex structure containing a 1H-1,2,4-triazole ring, a pentanol chain, and a chlorophenyl substituent. It is known for its potential biological activity and is commonly used in pharmaceutical research. The compound has a molecular formula of C14H18ClN3O and is typically a solid at room temperature with moderate solubility in organic solvents.

What are the main uses of 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3)?

This compound is primarily used in pharmaceutical research, particularly in the development of drugs targeting metabolic disorders and neurological conditions. It may also find applications in chemical synthesis as an intermediate or in agrochemicals due to its functional groups. Its unique structure makes it a valuable candidate for exploring new therapeutic avenues and chemical reactivity in various industries.

Is 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3) safe?

The safety of 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3) depends on its specific application and exposure conditions. As a chemical compound, it should be handled with care, following standard laboratory safety protocols. It is advisable to use protective gloves, goggles, and ventilation when working with it. Always refer to the safety data sheet (SDS) for detailed information on toxicity and handling precautions.

How should 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3) be stored?

1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol (CAS: 107534-96-3) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and air. Storage at a temperature below 25°C and in a controlled environment with low humidity is essential to prevent degradation. Avoid exposure to direct light and incompatible substances.