CAS 4439-02-5

1,3-Benzodioxole-5-acetonitrile

Description:

1,3-Benzodioxole-5-acetonitrile, with the CAS number 4439-02-5, is an organic compound characterized by its unique structure that combines a benzodioxole moiety with an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its aromatic properties, which contribute to its stability and reactivity in various chemical reactions. The presence of the acetonitrile group introduces a nitrile functional group, which can participate in nucleophilic addition reactions and is often used in organic synthesis. Additionally, 1,3-benzodioxole derivatives are of interest in medicinal chemistry due to their potential biological activities. The compound is soluble in organic solvents, making it useful in various applications, including pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₉H₇NO₂

InChI: InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2

InChI key: InChIKey=ZQPBOYASBNAXOZ-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=C2C(=CC1)OCO2

Synonyms:

• (1,3-Benzodioxol-5-yl)acetonitrile
• (Benzo[1,3]dioxol-5-yl)acetonitrile
• (Benzodioxol-5-yl)acetonitrile
• 1,3-Benzodioxol-5-Ylacetonitrile
• 1,3-Benzodioxole-5-acetonitrile
• 2-(1,3-Benzodioxol-5-yl)acetonitrile
• 2-(1,3-Dioxaindan-5-yl)acetonitrile
• 2-(2H-1,3-Benzodioxol-5-yl)acetonitrile
• 2-(3,4-Methylenedioxyphenyl)acetonitrile
• 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
• 3,4-(Methylenedioxy)benzyl cyanide
• 3,4-Methylenedioxybenzyl cyanide
• 5-Cyanomethyl-1,3-benzodioxole
• Acetonitrile, [3,4-(methylenedioxy)phenyl]-
• Benzodioxole-5-acetonitrile
• Berberine Intermediate-1
• Homopiperonylnitrile
• Homopiperonylonitrile
• Piperonyl cyanide
• Piperonylacetonitrile

3,4-Methylenedioxyphenylacetonitrile

CAS: 4439-02-5

Formula: C₉H₇NO₂

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 161.16

Ref: 3B-M1923

3,4-(Methylenedioxy)phenylacetonitrile, 98+%

CAS: 4439-02-5

3,4-(Methylenedioxy)phenylacetonitrile was used in synthesis of derrubone. It was used as standard to analyze the seized methamphetamine samples showing unique profiles of stable isotopic compositions by isotope ratio mass spectrometry. This Thermo Scientific Chemicals brand product was originally p

Formula: C₉H₇NO₂

Purity: 98+%

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

Molecular weight: 161.16

Ref: 02-L09518

2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile

CAS: 4439-02-5

Formula: C₉H₇NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 161.1574

Ref: IN-DA003IE3

3,4-Methylenedioxyphenylacetonitrile

CAS: 4439-02-5

3,4-Methylenedioxyphenylacetonitrile

Purity: 98%

Molecular weight: 161.15738g/mol

Ref: 54-OR1021399

3,4-(Methylenedioxy)phenylacetonitrile

CAS: 4439-02-5

Formula: C₉H₇NO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 161.16

Ref: 10-F002596