| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 2-bromo-1-(3-fluorophenyl)ethan-1-one 2-bromo-1-(3-fluorophenyl)ethan-…
Find On: PubMed — Wikipedia — Google
CAS Number: 53631-18-8
"2-Bromo-3'-fluoroacetophenone, 97%"
(S)-(+)-1-Phenyl-1,2-ethanediol 2-tosylate; >
2-Bromo-1-(3-fluoro-phenyl)-ethanone
2-bromo-1-(3-fluorophenyl)ethanone
2-Bromo-3'-fluoroacetophenone, 2-Bromo-1-(3-fluorophenyl)ethan-1-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) | 2.34 | 1.44 | -6 | 0 | 1 | 0 | 17 | 217.037 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 32-37° | Matrix Scientific |
| Mp [°C] | 34 - 35 | Acros Organics |
| BP | 76°/0.09mm | Matrix Scientific |
| Purity | 95% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive/Refrigerate/Lachrymator | Matrix Scientific |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| Warnings | LACHRYMATOR, CORROSIVE | Matrix Scientific |
| 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.