Product Description of Diphenylacetonitrile CAS#86-29-3
Diphenylacetonitrile, with the molecular formula C₁₄H₁₁N, has a melting point of 71–73°C and a boiling point of 181°C (12 mmHg), with a flash point of 120°C. It is insoluble in water. The compound is widely used as an intermediate in organic synthesis and plays an important role in the pharmaceutical industry, where it is utilized in the production of gastric amines, phenylephrine, analgesics, and other drugs.
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 participates in isocyanate synthesis. The resulting isocyanate intermediates can be further processed to manufacture UV‑curable coatings, polyurethane (PU) paints, transparent elastomers and bonding adhesives. This substance also finds practical deployment within polyamide and epoxy‑resin manufacturing sectors.
Beyond polymer‑related applications, it functions as an indispensable building‑block for organic synthetic workflows. Within pharmaceutical manufacturing, it acts as a starting material for preparing multiple therapeutic substances such as gastric‑targeting agents, phenylephrine and analgesic drug molecules.
