| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 4'-Nitroacetophenone 4'-Nitroacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-19-6 , 130190-71-5 , [100-19-6]
100-19-6; 4-Nitroacetophenone; C02803; p-Nitroacetophenone
| 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) | 1.80 | 5.62 | -9.23 | 0 | 4 | 0 | 63 | 165.148 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 167 / 5 | TCI |
| Boiling_Point | 201-202? | Alfa-Aesar |
| Boiling_Point | 201-202° | Alfa-Aesar |
| BP [°C] | 202 | Acros Organics |
| MP | 75-78° | Oakwood Chemical |
| Mp [°C] | 76 - 80 | Acros Organics |
| Melting_Point | 77-81? | Alfa-Aesar |
| Melting_Point | 77-81° | Alfa-Aesar |
| MP | 78 - 80 | Enamine Building Blocks |
| MP | 78...80 | Enamine Building Blocks |
| MP | 79 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36: Irritating to eyes. | 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
