| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 3-Bromophenylacetonitrile 3-Bromophenylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 31938-07-5 , N/A , [31938-07-5]
| 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) | 2.69 | 2 | -8.1 | 0 | 1 | 0 | 24 | 196.047 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 145-147°/10mm | Fluorochem |
| Melting_Point | 25-28? | Alfa-Aesar |
| Melting_Point | 25-28° | Alfa-Aesar |
| MP | 27-28° | Fluorochem |
| Boiling_Point | 275? | Alfa-Aesar |
| Boiling_Point | 275° | Alfa-Aesar |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Toxic | Matrix Scientific |
