| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | No |
Popular Name: 4-Fluorobenzyl bromide 4-Fluorobenzyl bromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 459-46-1 , [459-46-1]
1-(bromomethyl)-4-fluorobenzene
1-(Bromomethyl)-4-fluorobenzene, alpha-Bromo-4-fluorotoluene
| 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) | 2.81 | 5.95 | -3.23 | 0 | 0 | 0 | 0 | 189.027 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 177 | TCI |
| Boiling_Point | 84-85?/15mm | Alfa-Aesar |
| Boiling_Point | 84-85°/15mm | Alfa-Aesar |
| BP [°C] | 85 (p=15 torr) | Acros Organics |
| BP | 85°/15mm | Oakwood Chemical |
| bp | 94 - 96 (p=27 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 97% | Fluorochem |
| Purity | 99% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.