1,3-BENZODIOXOLE-5-CARBONITRILE
Piperonylonitrile
CAS: 4421-09-4
Molecular Formula: C8H5NO2
1,3-BENZODIOXOLE-5-CARBONITRILE - Names and Identifiers
| Name | Piperonylonitrile |
| Synonyms | AKOS 214-97 AKOS B004105 PIPERONITRILE PIPERONYLNITRILE Piperonylonitrile PIPERONYLONITRILE 5-Cyano-1,3-benzodioxole 1,3-BENZODIOXOLE-5-CARBONITRILE 1,3-benzodioxole-5-carbonitrile 3,4-(Methylenedioxy)benzonitrile Piperonylonitrile, (3,4-Methylenedioxybenzonitrile) 1,3-Benzodioxole-5-carbonitrile~3,4-(Methylenedioxy)benzonitrile |
| CAS | 4421-09-4 |
| EINECS | 224-590-6 |
| InChI | InChI=1/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2 |
| InChIKey | PKRWWZCDLJSJIF-UHFFFAOYSA-N |
1,3-BENZODIOXOLE-5-CARBONITRILE - Physico-chemical Properties
| Molecular Formula | C8H5NO2 |
| Molar Mass | 147.13 |
| Density | 1.3067 (rough estimate) |
| Melting Point | 91-93 °C (lit.) |
| Boling Point | 267.22°C (rough estimate) |
| Flash Point | 115.4°C |
| Solubility | Dichloromethane, Ethyl Acetate, Methanol |
| Vapor Presure | 0.0146mmHg at 25°C |
| Appearance | Crystalline Powder or Needles |
| Color | White to beige |
| BRN | 6224 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5510 (estimate) |
| MDL | MFCD00005820 |
1,3-BENZODIOXOLE-5-CARBONITRILE - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R20/21 - Harmful by inhalation and in contact with skin. |
| Safety Description | S36 - Wear suitable protective clothing. S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| RTECS | TO2645000 |
| HS Code | 29329990 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
1,3-BENZODIOXOLE-5-CARBONITRILE - Reference Information
| production method | white crystals are formed by reacting jasmine aldehyde with hydroxyl sulfate. Aldoxime with melting point 111~112 ℃ has 94% yield. Then acetic anhydride is added for dehydration, I .e. converted into products, with a yield of about 85%. |
Last Update：2024-04-09 20:49:11
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