| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 2-(Trifluoromethyl)phenylacetonitrile 2-(Trifluoromethyl)phenylacetoni…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3038-47-9 , [3038-47-9]
2-(2-(Trifluoromethyl)phenyl)acetonitrile
2-(Trifluoromethyl)benzyl cyanide
2-(Trifluoromethyl)benzyl cyanide, 2-(Cyanomethyl)benzotrifluoride
2-(Trifluoromethyl)phenylacetonitrile 98%
2-(Trifluoromethyl)phenylacetonitrile, 97%
2-Trifluoromethylphenylacetonitrile
2-[2-(trifluoromethyl)phenyl]acetonitrile
o-(Trifluoromethyl)benzyl cyanide
| 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) | 2.75 | 4.55 | -8.23 | 0 | 1 | 0 | 24 | 185.148 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 28-32? | Alfa-Aesar |
| Melting_Point | 28-32° | Alfa-Aesar |
| MP | 29-30° | Matrix Scientific |
| MP | 33 - 35 | Enamine Building Blocks |
| MP | 33...35 | Enamine Building Blocks |
| MP | 34 - 35 | Enamine Building Blocks |
| MP | 35 - 35 | Enamine Building Blocks |
| MP | 35 - 37 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 92 / 11 | TCI |
| Boiling_Point | 92?/11mm | Alfa-Aesar |
| Boiling_Point | 92°/11mm | Alfa-Aesar |
| purity | 95 | Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | TOXIC | Matrix Scientific |
