| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 8 | Yes |
Popular Name: 4-fluoroaniline 4-fluoroaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2146-07-8 , 371-40-4 , 908847-42-7
1-amino-4-fluorobenzene; 4-fluorobenzenamine; p-aminofluorobenzene; p-fluoroaniline
371-40-4; 4-Fluoroaniline; C11014; p-Fluoroaniline
| 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) | 1.18 | 2.43 | -3.58 | 2 | 1 | 0 | 26 | 111.119 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 1.9 | Acros Organics |
| Melting_Point | 2? | Alfa-Aesar |
| Melting_Point | 2° | Alfa-Aesar |
| Boiling_Point | 186-187? | Alfa-Aesar |
| Boiling_Point | 186-187° | Alfa-Aesar |
| BP [°C] | 187 | Acros Organics |
| Purity | 99% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP1422218; EP1754705; US2006142378; WO2006060381; WO2006070381 | ChEBI |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| Notes | Intermediate for the production of Flumazenil. | Apollo Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.