3,4-(Methylenedioxy)phenylacetonitrile Chemical Properties

Melting point:

43-45 °C(lit.)

Boiling point:

135-140°C 5mm

Density 

1.270±0.06 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

color 

White to Light yellow

Water Solubility 

Insoluble in water.

BRN 

7739

Exposure limits

NIOSH: IDLH 25 mg/m3

InChI

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

InChIKey

ZQPBOYASBNAXOZ-UHFFFAOYSA-N

SMILES

O1C2=CC=C(CC#N)C=C2OC1

CAS DataBase Reference

4439-02-5(CAS DataBase Reference)

NIST Chemistry Reference

3,4-Methylenedioxyphenylacetonitrile(4439-02-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22

Safety Statements 

36-36/37

RIDADR 

3439

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29329990

MSDS

• Language:English Provider:1,3-Benzodioxole-5-acetonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3,4-(Methylenedioxy)phenylacetonitrile Usage And Synthesis

Chemical Properties

Pale yellow low melting solid

Uses

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.

General Description

3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.

3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)Related Product Information

• 3-NITROPHENYLACETONITRILE
• 1,4-Dioxane
• Cyclopentene
• Diphenylacetonitrile
• p-Nitrophenylacetonitrile
• Methyl cyclopentenolone
• 1,3-Benzodioxole
• (3-Methoxyphenyl)acetonitrile
• Piperonyl chloride
• 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID
• acetonitrile
• Benzeneacetonitrile
• Acetonitrile
• (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-(1-ISOBUTYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)-2-PROPENENITRILE
• 3,4-(Methylenedioxy)phenylacetonitrile
• 2-(1,3-BENZODIOXOL-5-YL)-3-[2-(2,4-DICHLOROPHENOXY)PHENYL]ACRYLONITRILE
• (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-1-PHENYL-1H-PYRAZOL-4-YL]-2-PROPENENITRILE
• RARECHEM AK ML 0124