| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 16 | Yes |
Popular Name: 1-(4-TRIFLUOROMETHYLPHENYL)PIPERAZINE 1-(4-TRIFLUOROMETHYLPHENYL)PIPER…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30459-17-7 , [30459-17-7]
"1-(4-Trifluoromethylphenyl)piperazine, 97%"
1-(4-(trifluoromethyl)phenyl)piperazine, hydrochloride salt
1-[4-(trifluoromethyl)phenyl]piperazine
1-[4-(Trifluoromethyl)Phenyl]Piperazine [30459-17-7]
4-(4-Triflluoromethyl phenyl)-piperazine hydrochloride
N-(alpha,alpha,alpha-Trifluoro-p-tolyl)piperazine, 98%
| 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) | 2.23 | -0.84 | -45.38 | 2 | 2 | 1 | 20 | 231.241 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 84 - 86 | Enamine Building Blocks |
| MP | 84...86 | Enamine Building Blocks |
| MP | 86 - 88 | Enamine Building Blocks |
| Mp [°C] | 89 - 92 | Acros Organics |
| MP | 89-92° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.