| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 2,4-Difluorobenzonitrile 2,4-Difluorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103496-86-2 , 3939-09-1 , 3939-9-1 , 3939/9/1 , 656-35-9 , 9/1/3939 12:00:00 AM , [3939-09-1]
"2,4-Difluorophenylacetonitrile, 97%"
2,4-Difluorobenzonitrile [3939-09-1]
Benzonitrile, 2,4-difluoro-, radical ion(1-) (9CI)
| 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) | 1.95 | 4.98 | -5.71 | 0 | 1 | 0 | 24 | 139.104 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 189? | Alfa-Aesar |
| Boiling_Point | 189° | Alfa-Aesar |
| Melting_Point | 43-48? | Alfa-Aesar |
| Melting_Point | 43-48° | Alfa-Aesar |
| MP | 47 | TCI |
| MP | 47-49° | Matrix Scientific |
| BP | 83 / 23 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
