| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 1,3-Dicyanobenzene 1,3-Dicyanobenzene
Find On: PubMed — Wikipedia — Google
CAS Number: 626-17-5
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.42 | 5.27 | -8.82 | 0 | 2 | 0 | 48 | 128.134 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 159-163? | Alfa-Aesar |
| Melting_Point | 159-163° | Alfa-Aesar |
| MP | 160 - 161 | Enamine Building Blocks |
| MP | 160...161 | Enamine Building Blocks |
| Mp [°C] | 161 - 165 | Acros Organics |
| MP | 162 | TCI |
| MP | 163-165° | Oakwood Chemical |
| BP [°C] | 288 | Acros Organics |
| Boiling_Point | 288? | Alfa-Aesar |
| Boiling_Point | 288° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | AAAA_EMENI; AAAA_PENCH; CEFD1_ACRCH; CEFD2_ACRCH | ChEBI |
| Patent Database Links | EP0853977; EP1256564; WO2005100322; WO2008145562 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
