1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole

Basic Information

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CAS Number

54230-60-3

Molecular Formula

C17H25N3O2S

Molecular Weight

335.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

113.0 to 117.0 deg-C

Boiling Point

451.9°C at 760 mmHg

Density

1.17

Flash Point

227.1°C

Refractive Index

1.578

SMILES

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CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC=N2)C(C)C

InChI

InChI=1S/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3

InChIKey

BKJMMUUBRUWPPQ-UHFFFAOYSA-N

LogP

3.8853000000000026

Topological Polar Surface Area

64.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

467

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

NS00033006
FT-0605477
54230-60-3
J-502808
A830048
SCHEMBL5686154
BKJMMUUBRUWPPQ-UHFFFAOYSA-N
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
C93490
1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole
AKOS015900691
1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole
1-(2,4,6-Triisopropylbenzenesulphonyl)-1,2,4-triazole
1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-1,2,4-triazole
AS-11375
CS-W013928
1-(2,4,6-triisopropylphenylsulfonyl)-1H-1,2,4-triazole
1-((2,4,6-Triisopropylphenyl)-sulfonyl)-1H-1,2,4-triazole
T2951
1-(2,4,6-triisopropylphenyl)sulfonyl-1,2,4-triazole;TPST, 2,4,6-Triisopropylbenzenesulfonyl-1H-1,2,4-triazole
TPST, 2,4,6-Triisopropylbenzenesulfonyl-1H-1,2,4-triazole
1H-1,2,4-Triazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-
EINECS 259-035-7
1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-1,2,4-TRIAZOLE
1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole
AC-24889
1-(2,4,6-Triisopropylphenylsulfonyl)-1,2,4-triazole
C17H25N3O2S
DTXSID20202584
MFCD00014089
1-Trisyl-1,2,4-triazole

MDL Number

MFCD00014089

Customs Code

2933990090

FAQ

What is 1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3)?

1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) is a chemical compound with a complex structure. It consists of a 1,2,4-triazole ring with a sulfonyl substituent at the 1-position and a 2,4,6-triisopropylphenyl group attached to the sulfonyl group. This compound is known for its unique chemical properties and is commonly used in various applications.

What are the main uses of 1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3)?

1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) is primarily used in the pharmaceutical industry as a raw material for drug synthesis. It is also utilized in research and development for its unique chemical properties. Additionally, it has potential applications in industrial chemistry and materials science.

Is 1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) safe?

1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) is generally considered safe under proper handling and storage conditions. However, it is important to follow standard laboratory safety protocols, including the use of appropriate personal protective equipment (PPE) and ensuring proper ventilation. Direct contact with skin or inhalation should be avoided.

How should 1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) be stored?

1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole (CAS: 54230-60-3) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent exposure to moisture and air. It is advisable to store it at a temperature range of 20-25°C (68-77°F) and to ensure proper ventilation in the storage area to minimize the risk of decomposition or degradation.