CAS 3529-87-1

1-Isothiocyanato-4-phenoxybenzene

Description:

1-Isothiocyanato-4-phenoxybenzene, with the CAS number 3529-87-1, is an organic compound characterized by the presence of both isothiocyanate and phenoxy functional groups. It typically appears as a solid or liquid, depending on the specific conditions, and is known for its reactivity due to the isothiocyanate group, which can participate in nucleophilic reactions. This compound is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its phenoxy group contributes to its potential applications in modifying polymer properties and enhancing biological activity. The compound is generally handled with care due to its potential toxicity and irritant properties, necessitating appropriate safety measures during use. Additionally, it may exhibit specific solubility characteristics in organic solvents, which can influence its application in various chemical processes. Overall, 1-Isothiocyanato-4-phenoxybenzene is a versatile compound with significant implications in both research and industrial contexts.

Formula: C₁₃H₉NOS

InChI: InChI=1S/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H

InChI key: InChIKey=ZKITXAAKDFPASL-UHFFFAOYSA-N

SMILES: O(C1=CC=C(N=C=S)C=C1)C2=CC=CC=C2

Synonyms:

• 1-Isothiocyanato-4-phenoxybenzene
• 4-Isothiocyanate diphenyl ether
• 4-Isothiocyanato-diphenyl ether
• 4-Isothiocyanatodiphenyl ether
• Benzene, 1-isothiocyanato-4-phenoxy-
• Isothiocyanic acid, p-phenoxyphenyl ester
• 4-Phenoxyphenyl isothiocyanate

4-Phenoxyphenyl isothiocyanate

CAS: 3529-87-1

4-Phenoxyphenyl isothiocyanate

Purity: 95%

Molecular weight: 227.28g/mol

Ref: 54-OR322059

4-Phenoxyphenyl isothiocyanate

CAS: 3529-87-1

Formula: C₁₃H₉NOS

Purity: 95%

Color and Shape: Solid

Molecular weight: 227.28

Ref: 10-F009562

4-Phenoxyphenyl isothiocyanate

CAS: 3529-87-1

4-Phenoxyphenyl isothiocyanate is a potent anthelmintic drug that has been shown to produce mutations in the DNA of animals. It is a nitro compound that may cause mutagenicity, which is a heritable change in the genetic material. 4-Phenoxyphenyl isothiocyanate has been shown to be mutagenic and has hydroxylamine and thiourea as metabolites. The hydroxylamine metabolite has been shown to be an anthelmintic, whereas the thiourea metabolite was found to be mutagenic. 4-Phenoxyphenyl isothiocyanate is biotransformed into diphenyl ether, which also possesses antimicrobial properties.

Formula: C₁₃H₉NOS

Purity: Min. 95%

Molecular weight: 227.28 g/mol

Ref: 3D-DAA52987