2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

Basic Information

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CAS Number

80058-93-1

Molecular Formula

C19H21NOS

Molecular Weight

311.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)C1=CC(=CC(=C1N=C=S)C(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3

InChIKey

ZZNJNNXQRSAGSP-UHFFFAOYSA-N

LogP

6.460000000000004

Topological Polar Surface Area

21.59 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

365

Synonyms & References

English

SCHEMBL9368279
DTXSID701199639
80058-93-1
4-phenoxy-26-diisopropyl phenyl isothiocyanate
ZZNJNNXQRSAGSP-UHFFFAOYSA-N
4-phenoxy-2,6-diisopropylphenylisothiocyanate
2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene
Benzene,2-isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-
N-(2,6-diisopropyl-4-phenoxyphenyl)isothiocyanate
4-phenoxy-2,6-diisopropyl phenyl isothiocyanate
DIPPI

FAQ

What is 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1)?

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) is an organic compound with a complex molecular structure, featuring a benzene ring substituted with a phenoxy group, an isothiocyanato group, and two tert-butyl groups. It is used in specialized chemical and pharmaceutical applications due to its unique reactivity and stability.

What are the main uses of 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1)?

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) is primarily used in the synthesis of pharmaceuticals, where its reactive functional groups facilitate the creation of complex molecules. It is also utilized in research and development for its unique properties and can be found in some industrial applications requiring specific chemical functionalities.

Is 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) safe?

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and with proper personal protective equipment. Always follow safety data sheet (SDS) guidelines for handling and disposal to minimize any potential risks.

How should 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) be stored?

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) should be stored in a cool, dry place away from direct sunlight and heat sources. Store it in a tightly sealed container to prevent degradation. It is advisable to keep it in a fume hood when handling to avoid inhalation of any vapors. Ensure the storage area is well-ventilated to avoid the accumulation of flammable or toxic gases.