| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 4-Fluoro-2-(trifluoromethyl)benzonitrile 4-Fluoro-2-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 194853-86-6 , [194853-86-6]
"4-Fluoro-2-(trifluoromethyl)benzonitrile, 98%"
2-Cyano-5-fluorobenzotrifluoride
2-Cyano-5-fluorobenzotrifluoride, alpha,alpha,alpha,4-Tetrafluoro-o-tolunitrile
2-TRIFLUOROMETHYL-4-FLUOROBENZONITRILE
4-Fluoro-2-(trifluoromethyl)benzonitrile 97%
4-Fluoro-2-(trifluoromethyl)benzonitrile, 98+%
4-Fluoro-2-trifluoromethyl-benzonitrile
4-Fluoro-2-trifluoromethylbenzonitrile
alpha,alpha,alpha,4-Tetrafluoro-o-tolunitrile
| 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) | 2.68 | 5.22 | -6.52 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 16 - 18 | Enamine Building Blocks |
| MP | 16...18 | Enamine Building Blocks |
| Boiling_Point | 194-196? | Alfa-Aesar |
| Boiling_Point | 194-196° | Alfa-Aesar |
| MP | 43-44° | Matrix Scientific |
| Melting_Point | 43-45? | Alfa-Aesar |
| Melting_Point | 43-45° | Alfa-Aesar |
| MP | 43-46° | Oakwood Chemical |
| MP | 46 | TCI |
| BP | 52-55°/15mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| Warnings | Toxic/Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.