| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 14 | No |
Popular Name: 2-Methyl-5-nitrobenzotrifluoride 2-Methyl-5-nitrobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 89976-12-5 , [89976-12-5]
1-methyl-4-nitro-2-(trifluoromethyl)-benzene
1-methyl-4-nitro-2-(trifluoromethyl)benzene
2-(Trifluoromethyl)-4-nitrotoluene
2-Methyl-5-Nitrobenzotrifluoride ; (4-Nitro-2-(trfluoromethyl)toluene)
2-Methyl-5-nitrobenzotrifluoride, 98%
4-Nitro-2-(trifluoromethyl)toluene, 4-Methyl-3-(trifluoromethyl)nitrobenzene
| 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) | 3.17 | 6.68 | -6.54 | 0 | 3 | 0 | 46 | 205.135 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 34-35° | Matrix Scientific |
| M.P | 37-39C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Toxic | Matrix Scientific |
