CAS 626-22-2

1,3-Benzenediacetonitrile

Description:

1,3-Benzenediacetonitrile, also known by its CAS number 626-22-2, is an organic compound characterized by the presence of two cyano groups (-C≡N) attached to a benzene ring at the 1 and 3 positions. This compound is a colorless to pale yellow solid at room temperature and is known for its relatively high melting point. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic benzene structure. 1,3-Benzenediacetonitrile is utilized in various chemical syntheses and can serve as an intermediate in the production of pharmaceuticals and agrochemicals. Its reactivity is largely attributed to the cyano groups, which can participate in nucleophilic addition reactions. Additionally, the compound exhibits potential biological activity, making it of interest in medicinal chemistry. Proper handling and storage are essential, as with many nitriles, due to their potential toxicity and environmental impact.

Formula: C₁₀H₈N₂

InChI: InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2

InChI key: InChIKey=GRPFZJNUYXIVSL-UHFFFAOYSA-N

SMILES: C(C#N)C1=CC(CC#N)=CC=C1

Synonyms:

• 1,3-Benzenediacetonitrile
• 1,3-Benzenediacetonitrile (9CI)
• 1,3-Bis-(cyanomethyl)-benzene
• 1,3-Phenylenediacetonitrile
• 2,2'-(1,3-Phenylene)diacetonitrile
• 2,2'-Benzene-1,3-diyldiacetonitrile
• 2,2'-Benzol-1,3-diyldiacetonitril
• 2-[3-(Cyanomethyl)Phenyl]Acetonitrile
• NSC 77095
• m-Benzenediacetonitrile
• m-Bis(cyanomethyl)benzene
• m-Phenylenebisacetonitrile
• m-Xylylene dicyanide
• m-Phenylenediacetonitrile
• M-XYLYLENE CYANIDE
• 1,3-Xylylenedicyanide
• m-phenylenedi-acetonitril
• ALPHA,ALPHA'-DICYANO-M-XYLENE
• m-Phenylenediacetonitrile, 97+%
• (1,3-Phenylene)bisacetonitrile
• (3-Cyanomethyl-phenyl)-acetonitrile
• m-Xylylenedicyanide,97%
• Acetonitrile, m-phenylenedi-

m-Xylylene Dicyanide

CAS: 626-22-2

Formula: C₁₀H₈N₂

Purity: >98.0%(GC)

Color and Shape: White or Colorless to Light yellow powder to lump to clear liquid

Molecular weight: 156.19

Ref: 3B-X0002

1,3-Phenylenediacetonitrile

CAS: 626-22-2

Formula: C₁₀H₈N₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 156.1839

Ref: IN-DA003DLE

1,3-Benzenediacetonitrile

CAS: 626-22-2

1,3-Benzenediacetonitrile is a bioactive chemical.

Formula: C₁₀H₈N₂

Color and Shape: Off-White Solid

Molecular weight: 156.18

Ref: TM-T21138

2,2-(1,3-Phenylene)Diacetonitrile

CAS: 626-22-2

2,2-(1,3-Phenylene)Diacetonitrile

Purity: 98%

Molecular weight: 156.18g/mol

Ref: 54-OR1009868

1,3-Phenylenediacetonitrile

CAS: 626-22-2

Formula: C₁₀H₈N₂

Molecular weight: 156.19

Ref: 7W-GK7998

2,2′-(1,3-Phenylene)diacetonitrile

CAS: 626-22-2

Formula: C₁₀H₈N₂

Purity: 98%

Molecular weight: 156.188

Ref: 10-F223906

1,3-Phenylenediacetonitrile

CAS: 626-22-2

1,3-Phenylenediacetonitrile is a colorless solid that has an aromatic odor. It is soluble in acetone, ethanol, and benzene. 1,3-Phenylenediacetonitrile is used as an intermediate in the preparation of 2-alkenylcyclohexanones and other compounds. It can be prepared by the oxidation of 1,2-phenylenediacetonitrile or by the reaction of benzaldehyde with nitroethane. The functional groups are phenyl and nitro groups. The oxidation products include benzoquinone, hydroquinone, and catechol. This compound has a safety profile and industrial process that are well established. It has been shown to have morphological properties that are similar to those of other substituted acetonitriles. The nmr spectrum indicates that it is a mixture of two isomers: trans-1,3-phenylenediacetonitrile and cis-

Formula: C₁₀H₈N₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 156.18 g/mol

Ref: 3D-FP34528