3,4-(Methylenedioxy)phenylacetonitrile
Synonym(s):1,3-Benzodioxole-5-acetonitrile;Homopiperonylnitrile
- CAS NO.：4439-02-5
- Empirical Formula: C9H7NO2
- Molecular Weight: 161.16
- MDL number: MFCD00005835
- EINECS: 224-655-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 3,4-(Methylenedioxy)phenylacetonitrile?
Chemical properties
Pale yellow low melting solid
The Uses of 3,4-(Methylenedioxy)phenylacetonitrile
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.
Properties of 3,4-(Methylenedioxy)phenylacetonitrile
| 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 |
| CAS DataBase Reference | 4439-02-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,4-Methylenedioxyphenylacetonitrile(4439-02-5) |
Safety information for 3,4-(Methylenedioxy)phenylacetonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 3,4-(Methylenedioxy)phenylacetonitrile
| InChIKey | ZQPBOYASBNAXOZ-UHFFFAOYSA-N |
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