CAS 16413-26-6

3-Cyanophenyl isocyanate

Description:

3-Cyanophenyl isocyanate is an organic compound characterized by the presence of both a cyanophenyl group and an isocyanate functional group. It typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. The compound is known for its reactivity, particularly due to the isocyanate group, which can readily participate in nucleophilic addition reactions, making it useful in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. It has a moderate to high toxicity profile, necessitating careful handling and appropriate safety measures during use. Additionally, 3-Cyanophenyl isocyanate may exhibit properties such as solubility in organic solvents and limited solubility in water. Its chemical structure contributes to its potential applications in materials science and organic synthesis, where it can serve as a building block for more complex molecules. As with many isocyanates, it is important to be aware of its potential health hazards, including respiratory irritation and sensitization.

Formula: C₈H₄N₂O

InChI: InChI=1/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H

SMILES: c1cc(cc(c1)N=C=O)C#N

Synonyms:

• 3-Isocyanatobenzonitrile
• Benzonitrile, 3-isocyanato-
• 3-Cyanophenylisocyanate
• 3-ISOCYANATO BENZONITRILE
• 3-Cyanophenyl
• 3-CYANOPHENYL ISOCYANATE
• 3-Cyanophenylisocyanate 97%
• M-CYANOPHENYL ISOCYANATE

3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6

3-Cyanophenyl isocyanate serves as a starting reagent in the synthesis of R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran and 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar

Formula: C₈H₄N₂O

Purity: 97%

Color and Shape: White to cream to yellow to red, Crystals or powder or crystalline powder or lumps or fused solid

Molecular weight: 144.13

Ref: 02-L09432

Benzonitrile, 3-isocyanato-

CAS: 16413-26-6

Formula: C₈H₄N₂O

Purity: 97%

Color and Shape: Solid

Molecular weight: 144.1302

Ref: IN-DA001UOH

3-Cyanophenylisocyanate

CAS: 16413-26-6

3-Cyanophenylisocyanate

Formula: C₈H₄N₂O

Purity: 97%

Color and Shape: white fused solid

Molecular weight: 144.13g/mol

Ref: 54-OR6433

3-Cyanophenyl isocyanate

CAS: 16413-26-6

Formula: C₈H₄N₂O

Purity: 98%

Color and Shape: Solid

Molecular weight: 144.133

Ref: 10-F046925