| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: 2-Fluoro-4-methylaniline 2-Fluoro-4-methylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 452-80-2 , [452-80-2]
| 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 | 3.13 | -3.41 | 2 | 1 | 0 | 26 | 125.146 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 3 | TCI |
| MP | 55 - 58 | Enamine Building Blocks |
| MP | 55...58 | Enamine Building Blocks |
| BP [°C] | 70 - 71 (p=7 torr) | Acros Organics |
| Boiling_Point | 70-71?/7mm | Alfa-Aesar |
| Boiling_Point | 70-71°/7mm | Alfa-Aesar |
| BP | 71 / 7 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| H phrase | H311: Toxic in contact with skin | Acros Organics |
| H phrase | H311: Toxic in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H301: Toxic if swallowed; H315: Causes skin irritation; H331: Toxic if inhaled | 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 |
| PUBCHEM_PATENT_ID | WO2000069834A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.