1,3-Dihydro-1-oxoisobenzofuran-5-carbonitril
Bezeichnung:1,3-Dihydro-1-oxoisobenzofuran-5-carbonitril
CAS-Nr82104-74-3
Englisch Name:5-Cyanophthalide
CBNumberCB0277200
SummenformelC9H5NO2
Molgewicht159.14
MOL-Datei82104-74-3.mol
Synonyma
1,3-Dihydro-1-oxoisobenzofuran-5-carbonitril
1,3-Dihydro-1-oxoisobenzofuran-5-carbonitril physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 201-205 °C(lit.) |
| Siedepunkt | 407.5±45.0 °C(Predicted) |
| Dichte | 1.36±0.1 g/cm3(Predicted) |
| Dampfdruck | 0.012Pa at 25℃ |
| storage temp. | Sealed in dry,Room Temperature |
| Löslichkeit | Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| InChI | InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2 |
| InChIKey | XEEGWTLAFIZLSF-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(C#N)C=C2)CO1 |
| LogP | 0.136 at 30℃ and pH5.03 |
| Dissoziationskonstante | 0-0 at 30℃ |
| CAS Datenbank | 82104-74-3(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | Xn,Xi |
| R-Sätze: | 20/21/22-36/37/38 |
| S-Sätze: | 36/37-36-26 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HS Code | 29322090 |
| Speicherklasse | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
