| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 13 | No |
Popular Name: 4-Chloro-4'-fluorobutyrophenone 4-Chloro-4'-fluorobutyrophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3874-54-2 , 3875-54-2 , [3874-54-2]
3-Chloropropyl 4-fluorophenyl ketone
4-chloro-1-(4-fluorophenyl)butan-1-one
4-Chloro-1-(4-fluorophenyl)butan-1-one, 4-Chloro-1-(4-fluorophenyl)-1-oxobutane
4-Chloro-4'-fluorobutyrophenone 97%
4-Chloro-4'-Fluorobutyrophenone [3874-54-2]
4-Chloro-4'-fluorobutyrophenone, 96%
4-Chloro-4'-fluorobutyrophenone, 97%
| 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) | 2.77 | 2.29 | -8.5 | 0 | 1 | 0 | 17 | 200.64 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 120-122?/0.7mm | Alfa-Aesar |
| Boiling_Point | 120-122°/0.7mm | Alfa-Aesar |
| Melting_Point | 5-6? | Alfa-Aesar |
| Melting_Point | 5-6° | Alfa-Aesar |
| MP | 55 - 57 | Enamine Building Blocks |
| MP | 55...57 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
