| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | Yes |
Popular Name: Benz[a]anthracene Benz[a]anthracene
| 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) | 5.46 | 1.66 | -6.6 | 0 | 0 | 0 | 0 | 228.294 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 158 - 161 | Acros Organics |
| MP | 161 | TCI |
| BP [°C] | 437.6 | Acros Organics |
| H phrase | H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H410: Very toxic to aquatic life with long lasting effects; H350: May cause cancer | Acros Organics |
| P phrase | P201: Obtain special instructions before use | Acros Organics |
| P phrase | P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P273: Avoid release to the environment | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
| Patent Database Links | US2005037401; WO2008156205 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.