| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 14 | Yes |
Popular Name: Benzophenone Benzophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119-61-9 , 32488-48-5 , 712-50-5 , [119-61-9]
| 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) | 3.39 | 7.73 | -7.51 | 0 | 1 | 0 | 17 | 182.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 165-168?/20mm | Alfa-Aesar |
| Boiling_Point | 165-168°/20mm | Alfa-Aesar |
| BP [°C] | 305 | Acros Organics |
| Boiling_Point | 305? | Alfa-Aesar |
| Boiling_Point | 305° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 4.01e-02 g/l | DrugBank-experimental |
| MP | 46 - 48 | Enamine Building Blocks |
| MP | 46...48 | Enamine Building Blocks |
| Mp [°C] | 47 - 49 | Acros Organics |
| Melting_Point | 47-50? | Alfa-Aesar |
| Melting_Point | 47-50° | Alfa-Aesar |
| MP | 49 | TCI |
| Melting_Point | 52-57? | Alfa-Aesar |
| Melting_Point | 52-57° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Patent Database Links | EP0893119; EP0900823; EP0926147; EP0930311; EP0955291; EP0982300; EP1038870; EP1151994; EP1188746; EP1277770; EP1310492; EP1403709; EP1422220; EP1445249; EP1506772; EP1552814; EP1595936; EP1635220; EP1661583; EP1666970; EP1674095; EP1674133; EP1679061; EP | ChEBI |
| UniProt Database Links | ERG7_BOVIN; TBSYN_HYPAN | ChEBI |
| H phrase | H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S29: Do not empty into drains.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.