| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 3-Nitrobenzonitrile 3-Nitrobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 12402-46-9 , 619-24-9 , [619-24-9]
| 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) | 1.63 | 5.55 | -9.73 | 0 | 4 | 0 | 70 | 148.121 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 114-117? | Alfa-Aesar |
| Melting_Point | 114-117° | Alfa-Aesar |
| MP | 115 | TCI |
| MP | 115 - 117 | Enamine Building Blocks |
| Mp [°C] | 115 - 119 | Acros Organics |
| MP | 115...117 | Enamine Building Blocks |
| BP [°C] | 165 (p=21 torr) | Acros Organics |
| BP | 165 / 16 | TCI |
| Boiling_Point | 165?/21mm | Alfa-Aesar |
| Boiling_Point | 165°/21mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | 97% | APIChem |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302 + P350: IF ON SKIN: Gently wash wi | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
