CAS 3460-49-9

1-Ethoxy-4-isothiocyanatobenzene

Description:

1-Ethoxy-4-isothiocyanatobenzene, with the CAS number 3460-49-9, is an organic compound characterized by the presence of both an ethoxy group and an isothiocyanate functional group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly due to the isothiocyanate group, which can participate in nucleophilic addition reactions and is often utilized in organic synthesis and medicinal chemistry. The ethoxy group contributes to its solubility in organic solvents, making it useful in various chemical applications. Additionally, 1-ethoxy-4-isothiocyanatobenzene may exhibit biological activity, which has led to interest in its potential applications in pharmaceuticals and agrochemicals. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Overall, its unique structure and functional groups make it a valuable compound in chemical research and development.

Formula: C₉H₉NOS

InChI: InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3

InChI key: InChIKey=REEKOMRZYJXXNR-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC=C(OCC)C=C1

Synonyms:

• 1-Ethoxy-4-Isothiocyanatobenzene
• 1-Isothiocyanato-4-ethoxybenzene
• 4-Ethoxyphenyl isothiocyanate
• Benzene, 1-ethoxy-4-isothiocyanato-
• Isothiocyanic acid, p-ethoxyphenyl ester
• NSC 108217
• Phenetole, p-isothiocyanato-
• p-Ethoxyphenyl isothiocyanate

4-Ethoxyphenyl isothiocyanate, 98%

CAS: 3460-49-9

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₉H₉NOS

Purity: 98%

Color and Shape: White to pale cream to pale yellow, Fused solid

Molecular weight: 179.24

Ref: 02-A18902

4-Ethoxyphenyl isothiocyanate

CAS: 3460-49-9

Formula: C₉H₉NOS

Purity: 98%

Color and Shape: Solid

Molecular weight: 179.2389

Ref: IN-DA003LBH

4-Ethoxyphenyl isothiocyanate

CAS: 3460-49-9

4-Ethoxyphenyl isothiocyanate

Formula: C₉H₉NOS

Purity: 97%

Color and Shape: nearly white fused solid

Molecular weight: 179.24g/mol

Ref: 54-OR5832

4-Ethoxyphenyl isothiocyanate

CAS: 3460-49-9

Formula: C₉H₉NOS

Purity: 97.0%

Color and Shape: Solid

Molecular weight: 179.24

Ref: 10-F002562

1-Ethoxy-4-isothiocyanato-benzene

CAS: 3460-49-9

1-Ethoxy-4-isothiocyanato-benzene is a chemical compound that has shown antihypertensive activity, as well as antioxidant and anticancer potential. It reacts with the primary amino group of proteins to form an amine, which can then react with hydrochloric acid or other aldehydes to form pentane. The pentane is then oxidized by amines or thiosemicarbazide to form methyl anthranilate. This compound also has antibacterial properties, which may be due to its ability to inhibit bacterial growth by disrupting hydrogen bonds and sulphonates.

Formula: C₉H₉NOS

Purity: Min. 95%

Molecular weight: 179.24 g/mol

Ref: 3D-DAA46049