| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | No |
Popular Name: 4-bromobenzaldehyde 4-bromobenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Number: 1122-91-4
| 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) | 2.54 | 0.84 | -6.23 | 0 | 1 | 0 | 17 | 185.02 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 125 / 23 | TCI |
| Mp [°C] | 55 - 58 | Acros Organics |
| M.P | 55-58 °C | Indofine |
| Melting_Point | 55-58? | Alfa-Aesar |
| Melting_Point | 55-58° | Alfa-Aesar |
| MP | 55...58 | Enamine Building Blocks |
| MP | 57 | TCI |
| Boiling_Point | 66-68?/2mm | Alfa-Aesar |
| Boiling_Point | 66-68°/2mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | 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 | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.