| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 20 | No |
Popular Name: 3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one 3-(4-methylphenyl)-1-(3-nitrophe…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25870-68-2 , [25870-68-2]
| 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) | 4.20 | 3.11 | -14.31 | 0 | 4 | 0 | 62 | 267.284 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 143 - 146 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0328668B1; US5045239 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
