| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4-(Trifluoromethyl)benzonitrile 4-(Trifluoromethyl)benzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 455-18-5 , 5096-73-1 , [455-18-5]
"4-(Trifluoromethyl)benzonitrile, 99%"
4-(Trifluoromethyl)benzonitrile 98%
4-(Trifluoromethyl)benzonitrile, 98%
4-Cyanobenzotrifluoride, 99.5%+
4-Cyanobenzotrifluoride, alpha,alpha,alpha-Trifluoro-p-tolunitrile
alpha,alpha,alpha-Trifluoro-p-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) | 2.59 | 4.74 | -4.98 | 0 | 1 | 0 | 24 | 171.121 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 183-185? | Alfa-Aesar |
| Boiling_Point | 183-185° | Alfa-Aesar |
| Melting_Point | 36-40? | Alfa-Aesar |
| Melting_Point | 36-40° | Alfa-Aesar |
| MP | 38 - 40 | Enamine Building Blocks |
| MP | 38...40 | Enamine Building Blocks |
| MP | 39 - 41 | Enamine Building Blocks |
| MP | 39-41° | Matrix Scientific |
| MP | 40 - 41 | Enamine Building Blocks |
| MP | 41 - 41 | Enamine Building Blocks |
| MP | 41 - 43 | Enamine Building Blocks |
| BP | 80-81°/20mm | Matrix Scientific |
| BP | 81 / 20 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| Warnings | LACHRYMATOR, TOXIC | Matrix Scientific |
| Warnings | Toxic/Lachrymator | Matrix Scientific |
