| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 19 | No |
Popular Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine 1-[2-nitro-4-(trifluoromethyl)ph…
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CAS Numbers: 470472-16-3 , 58315-38-1 , [58315-38-1]
1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride
3-Nitro-4-(piperazin-1-yl)benzotrifluoride
N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine
N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine 97%
| 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) | 2.12 | 1.24 | -53.08 | 2 | 5 | 1 | 65 | 276.238 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 65 - 66 | Acros Organics |
| MP | 68-69° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
