Diphenylacetonitrile CAS#86-29-3
Important Organic Synthesis Intermediate: Diphenyl acetonitrile serves as a valuable intermediate in organic synthesis, supporting a wide range of chemical processes.
Pharmaceutical Application Value: It is used in the production of various drugs, including gastric amines, phenylephrine, and analgesics.
Stable Physical Properties: With a defined melting point (71–73°C) and boiling point (181°C at 12 mmHg), it offers reliable handling and processing.
Low Water Solubility for Specialized Use: Its insolubility in water makes it suitable for applications requiring minimal interaction with aqueous systems.
Diphenylacetonitrile Chemical Properties
| Melting point | 71-73 °C (lit.) |
| Boiling point | 181 °C/12 mmHg (lit.) |
| Density | 1.1061 (rough estimate) |
| Vapor pressure | 21.3 hPa (190 °C) |
| Refractive index | 1.5850 (estimate) |
| Fp | 120 °C |
| Storage temp | Store below +30°C. |
| Solubility | INSOLUBLE |
| Form | Crystalline Powder |
| Color | White to creamy or faint yellow |
| Water Solubility | INSOLUBLE |
| Merck | 143316 |
| BRN | 1911160 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChIKey | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
| LogP | 2.795-3.197 at 25℃ |
| CAS DataBase Reference | 86-29-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetonitrile, «alpha»-phenyl-(86-29-3) |
| EPA Substance Registry System | Diphenylacetonitrile (86-29-3) |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 2 |
| RTECS | AL9800000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Toxicity | LD50 orally in Rabbit: 3500 mg/kg |
Product Application of Diphenylacetonitrile CAS#86-29-3
Diphenylacetonitrile is used in the synthesis of isocyanates, which can be further processed into UV coatings, polyurethane (PU) paints, transparent elastomers, and adhesives. It is also applied in the polyamide and epoxy resin industries.
Additionally, it serves as an important intermediate in organic synthesis. In the pharmaceutical field, it is used in the production of gastric amines, phenylephrine, analgesics, and other medicinal compounds.
