1,4-Diphenylbutadiyne
- Product Name1,4-Diphenylbutadiyne
- CAS886-66-8
- MFC16H10
- MW202.25
- EINECS212-953-1
- MOL File886-66-8.mol
Chemical Properties
| Melting point | 86-87 °C (lit.) |
| Boiling point | 210 °C / 3mmHg |
| Density | 1.2615 (estimate) |
| refractive index | 1.5000 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| color | White to Light yellow |
| Water Solubility | Sparingly soluble in water(5.5E-4 g/L) (25°C). Soluble in toluene almost transparency. |
| ex/em | λex 326, 305 nm; λem 330 nm in EtOH |
| BRN | 1910105 |
| InChI | InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H |
| InChIKey | HMQFJYLWNWIYKQ-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)#CC#CC1=CC=CC=C1 |
| CAS DataBase Reference | 886-66-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis- (886-66-8) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29029090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
