Introduction：Basic information about 3,4-(Methylenedioxy)phenylacetonitrile CAS 4439-02-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,4-(Methylenedioxy)phenylacetonitrile Basic information
| Product Name: | 3,4-(Methylenedioxy)phenylacetonitrile |
| Synonyms: | A-CYANO-3,4-METHYLENEDIOXYTOLUENE;3,4-METHYLENEDIOXYBENZYL CYANIDE;3,4-(METHYLENEDIOXY)PHENYLACETONITRILE;1,3-BENZODIOXOLE-5-ACETONITRILE;(1,3-Benzodioxol-5-yl)acetonitrile~3,4-(Methylenedioxy)benzyl cyanide~Piperonyl cyanide;Homopiperonylnitrile;3,4-METHYLENEDIOXYPHENYLACETONITRILE, 99 %;PEPERACETONITRILE |
| CAS: | 4439-02-5 |
| MF: | C9H7NO2 |
| MW: | 161.16 |
| EINECS: | 224-655-9 |
| Product Categories: | Pharmaceutical Intermediates;Aromatic Nitriles |
| Mol File: | 4439-02-5.mol |
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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) |
| Fp | >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 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
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 Preparation Products And Raw materials
| Raw materials | Dimethyl sulfoxide-->Sodium cyanide-->Catechol-->Dichloroethane-->1,3-Benzodioxole-->1,3,5-trioxane |
| Preparation Products | Homopiperonylamine-->Homopiperonylamide-->(3,4-DIHYDROXYPHENYL)ACETONITRILE-->2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile |
