| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 14 | Yes |
Popular Name: 6-phenylnicotinonitrile 6-phenylnicotinonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39065-54-8 , [39065-54-8]
| 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) | 2.35 | 2.31 | -6.96 | 0 | 2 | 0 | 37 | 180.21 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 88 - 90 | Acros Organics |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0781266A1; EP0882025A1; US5112860; US5157037; US5187170; US5194438; US5196423; US5286750; US5298527; US5326767; US5334577; US5378711; US5416068; US5468717; US5554578; US5985919; WO1996007633A1; WO1996035669A1; WO1997029093A1 | IBM Patent Data |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and 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 |
