CAS 23165-44-8

1-Butyl-4-isothiocyanatobenzene

Description:

1-Butyl-4-isothiocyanatobenzene, with the CAS number 23165-44-8, is an organic compound characterized by the presence of both a butyl 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 the temperature and purity. It is known for its distinctive odor, which is characteristic of isothiocyanates. The compound is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic butyl chain. 1-Butyl-4-isothiocyanatobenzene is often utilized in chemical synthesis and research, particularly in the study of biological activities and as a potential precursor in the development of agrochemicals or pharmaceuticals. Its reactivity is influenced by the isothiocyanate group, which can participate in various nucleophilic reactions, making it a valuable intermediate in organic synthesis. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks.

Formula: C₁₁H₁₃NS

InChI: InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3

InChI key: InChIKey=PXVPXJHMTUKENZ-UHFFFAOYSA-N

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

Synonyms:

• 1-Butyl-4-Isothiocyanatobenzene
• 4-Butylphenyl isothiocyanate
• Benzene, 1-butyl-4-isothiocyanato-
• Isothiocyanic acid, p-butylphenyl ester
• 4-n-Butylphenyl isothiocyanate

Benzene, 1-butyl-4-isothiocyanato-

CAS: 23165-44-8

Formula: C₁₁H₁₃NS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 191.2926

Ref: IN-DA002MG7

4-Butylphenyl isothiocyanate

CAS: 23165-44-8

4-Butylphenyl isothiocyanate

Purity: 99%

Molecular weight: 191.29262g/mol

Ref: 54-OR1021670

4-Butylphenyl isothiocyanate

CAS: 23165-44-8

Formula: C₁₁H₁₃NS

Purity: 97%

Color and Shape: Liquid, Clear

Molecular weight: 191.29

Ref: 10-F008755