| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 13 | Yes |
Popular Name: 4-Fluoro-3-(trifluoromethyl)benzonitrile 4-Fluoro-3-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Number: 67515-59-7
"4-Fluoro-3-(trifluoromethyl)benzonitrile, 98%"
4-Fluoro-3-(trifluoromethyl)benzonitrile 97%
4-Fluoro-3-(trifluoromethyl)benzonitrile, 98+%
4-Fluoro-3-(trifluoromethyl)benzonitrile; 5-cyano-2-fluorobenzotrifluoride
4-Fluoro-3-trifluoromethyl benzonitrile
4-Fluoro-3-trifluoromethyl-benzonitrile
4-Fluoro-3-trifluoromethylbenzonitrile
5-Cyano-2-fluorobenzotrifluoride
alpha,alpha,alpha,4-Tetrafluoro-m-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 | 5.42 | -6.27 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 193-195? | Alfa-Aesar |
| Boiling_Point | 193-195° | Alfa-Aesar |
| MP | 66-69° | Matrix Scientific |
| MP | 67 - 69 | Enamine Building Blocks |
| Melting_Point | 67-69? | Alfa-Aesar |
| Melting_Point | 67-69° | Alfa-Aesar |
| MP | 67...69 | Enamine Building Blocks |
| MP | 69 - 71 | Enamine Building Blocks |
| 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.