Homopiperonylnitrile
3,4-(Methylenedioxy)phenylacetonitrile
CAS: 4439-02-5
Molecular Formula: C9H7NO2
Homopiperonylnitrile - Names and Identifiers
| Name | 3,4-(Methylenedioxy)phenylacetonitrile |
| Synonyms | Piperonyl cyanide PEPERACETONITRILE Homopiperonylnitrile 1,3-Benzodioxole-5-acetonitrile 1,3-BENZODIOXOLE-5-ACETONITRILE 3,4-METHYLENEDIOXYBENZYL CYANIDE 1,3-benzodioxol-5-ylacetonitrile A-CYANO-3,4-METHYLENEDIOXYTOLUENE (1,3-Benzodioxol-5-yl)acetonitrile 3,4-(Methylenedioxy)benzyl cyanide 3,4-(Methylenedioxy)phenylacetonitrile 3,4-(METHYLENEDIOXY)PHENYLACETONITRILE (1,3-Benzodioxol-5-yl)acetonitrile~3,4-(Methylenedioxy)benzyl cyanide~Piperonyl cyanide |
| CAS | 4439-02-5 |
| EINECS | 224-655-9 |
| InChI | InChI=1/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2 |
| InChIKey | ZQPBOYASBNAXOZ-UHFFFAOYSA-N |
Homopiperonylnitrile - Physico-chemical Properties
| Molecular Formula | C9H7NO2 |
| Molar Mass | 161.16 |
| Density | 1.270±0.06 g/cm3(Predicted) |
| Melting Point | 43-45°C(lit.) |
| Boling Point | 135-140°C 5mm |
| Flash Point | >230°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.00117mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Light yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 7739 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.574 |
| MDL | MFCD00005835 |
| Physical and Chemical Properties | Crystallization. Melting point 43-45 °c, flash point 110 °c. |
| Use | Used as a pharmaceutical Intermediate |
Homopiperonylnitrile - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29329990 |
| Hazard Class | 6.1 |
| Packing Group | III |
Homopiperonylnitrile - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | berberine hydrochloride (berberine hydrochloride) intermediate. Used as a pharmaceutical intermediate |
| Production method | Use catechol to ring with dichloroethane and sodium hydroxide in dimethyl sulfoxide to form a pepper ring, and then Use chloromethylation of trioxymethylene and concentrated hydrochloric acid to obtain benzyl chloride for pepper, and then use sodium cyanide to make the product. |
Last Update：2024-04-09 20:52:54
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View History
Homopiperonylnitrile
piperitenone
ion exchange resin
碘化丙酰硫代胆碱
sym-Dichloroacetone
SODIUM XYLENESULFONATE
Affirm
Shisooil
M-XYLIDINE HYDROCHLORIDE
CI 12490
piperitenone
ion exchange resin
碘化丙酰硫代胆碱
sym-Dichloroacetone
SODIUM XYLENESULFONATE
Affirm
Shisooil
M-XYLIDINE HYDROCHLORIDE
CI 12490