| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 16 | Yes |
Popular Name: Dibenzosuberone Dibenzosuberone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1210-35-1 , 2222-33-5 , [1210-35-1]
10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one
10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
5H-Dibenzo[a,d]cyclohepten-5-one
| 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) | 3.52 | 8.77 | -8.47 | 0 | 1 | 0 | 17 | 208.26 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 147-149?/0.3mm | Alfa-Aesar |
| Boiling_Point | 147-149°/0.3mm | Alfa-Aesar |
| BP [°C] | 148 (p=0.3 torr) | Acros Organics |
| BP | 148 / 0.3 | TCI |
| Mp [°C] | 32 - 34 | Acros Organics |
| Melting_Point | 32-34? | Alfa-Aesar |
| Melting_Point | 32-34° | Alfa-Aesar |
| MP | 85-91° | Fluorochem |
| Melting_Point | 88-89? | Alfa-Aesar |
| Melting_Point | 88-89° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36: Irritating to eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
