CAS 1000577-91-2

3-Bromo-4-isothiocyanatobenzonitrile

Description:

3-Bromo-4-isothiocyanatobenzonitrile, with the CAS number 1000577-91-2, is an organic compound characterized by the presence of both a bromine atom and an isothiocyanate functional group attached to a benzene ring that also contains a nitrile group. This compound typically appears as a solid and is known for its reactivity due to the presence of the isothiocyanate group, which can participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. The bromine atom enhances the electrophilic character of the aromatic ring, making it more susceptible to further chemical modifications. Additionally, the nitrile group contributes to the compound's polarity and potential solubility in polar solvents. 3-Bromo-4-isothiocyanatobenzonitrile is of interest in synthetic organic chemistry and may have applications in the development of pharmaceuticals or agrochemicals, owing to its unique structural features that can facilitate the formation of diverse chemical entities. Safety precautions should be observed when handling this compound, as it may pose health risks.

Formula: C₈H₃BrN₂S

InChI: InChI=1S/C8H3BrN2S/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H

SMILES: c1cc(c(cc1C#N)Br)N=C=S

Synonyms:

• Benzonitrile, 3-bromo-4-isothiocyanato-
• 2-Bromo-4-cyanophenylisothiocyanate
• 2-bromo-4-cyanoisothiocyanate
• 3-BroMo-4-Isothiocyanato-Benzonitrile

Benzonitrile, 3-bromo-4-isothiocyanato-

CAS: 1000577-91-2

Formula: C₈H₃BrN₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 239.0918

Ref: IN-DA0000RL

3-Bromo-4-Isothiocyanato-Benzonitrile

CAS: 1000577-91-2

3-Bromo-4-Isothiocyanato-Benzonitrile

Purity: 98%

Molecular weight: 239.09g/mol

Ref: 54-OR1010922

2-Bromo-4-cyanophenylisothiocyanate

CAS: 1000577-91-2

Formula: C₈H₃BrN₂S

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 239.09

Ref: 10-F035153