| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: 2-Fluoro-5-methylaniline 2-Fluoro-5-methylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 452-84-6 , [452-84-6]
3-Amino-4-Fluorobenzotrifluoride [535-52-4]; (2-Fluoro-5-(trifluoromethyl)aniline)
3-Amino-4-fluorotoluene, 6-Fluoro-m-toluidine
| 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) | 1.96 | 3.12 | -3.34 | 2 | 1 | 0 | 26 | 125.146 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 58 - 61 | Enamine Building Blocks |
| MP | 58...61 | Enamine Building Blocks |
| BP [°C] | 80 - 86 (p=11 torr) | Acros Organics |
| Boiling_Point | 80-86?/11mm | Alfa-Aesar |
| Boiling_Point | 80-86°/11mm | Alfa-Aesar |
| BP | 88-90°/17 Torr | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 90 / 17 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H331: Toxic if inhaled; H311: Toxic in contact with skin; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | Toxic/Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.