| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | Yes |
Popular Name: 2-Fluoroaniline 2-Fluoroaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 348-54-9 , 51085-49-5
1-amino-2-fluorobenzene; 2-fluorobenzenamine; o-aminofluorobenzene; o-fluoroaniline
2-Fluoroaniline; 348-54-9; C11010; o-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) | 1.54 | 2.46 | -3.44 | 2 | 1 | 0 | 26 | 111.119 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 29 | Acros Organics |
| Melting_Point | 29? | Alfa-Aesar |
| Melting_Point | 29° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 1.27e+01 g/l | DrugBank-experimental |
| BP | 170 | TCI |
| Boiling_Point | 171-173? | Alfa-Aesar |
| Boiling_Point | 171-173° | Alfa-Aesar |
| BP [°C] | 182 - 183 | Acros Organics |
| BP | 182-183° | Fluorochem |
| Purity | 99% | Fluorochem |
| Purity | 99+% | Fluorochem |
| Patent Database Links | EP1754705; WO2006119104 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H226: Flammable liquid and vapor | Acros Organics |
| Notes | Intermediate for the synthesis of Flurbiprofen, an important NSAID. | 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 | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.