1,3-Dicyanobenzene
- CAS:
- Other names: Isophthalonitrile; m-Benzenedinitrile; m-Dicyanobenzene; 1,3-Dicyanobenzene; 3-Cyanobenzonitrile; Isophthalodinitrile; m-PDN; Isoftalodinitril; Isophtalonitrile; IPN; Nitril kyseliny isoftalove; 1,3-Benzodinitrile; 1,3-Benzendikarbonitril; Dinitrile of isophthalic acid; Isoftalonitril; m-Phthalodinitrile; m-Cyanobenzonitrile
- SMILES: N#Cc1cccc(c1)C#N
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 128.13 | 2 | 0 | 1.43 | 47.58 | 0 | 22 | 0.00 | C8H4N2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt0269 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[1,3-Dicyanobenzene] | 1.29 | 25.0 | Kenneth A. Connors 1995 | |||