| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: 2-Phenoxyaniline 2-Phenoxyaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105973-37-3 , 2688-84-8 , [2688-84-8]
| 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) | 3.13 | 5.3 | -4.7 | 2 | 2 | 0 | 35 | 185.226 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 170 (p=18 torr) | Acros Organics |
| Boiling_Point | 170?/18mm | Alfa-Aesar |
| Boiling_Point | 170°/18mm | Alfa-Aesar |
| BP | 187 / 28 | TCI |
| MP | 46 | TCI |
| Mp [°C] | 46 - 50 | Acros Organics |
| Melting_Point | 46-48? | Alfa-Aesar |
| Melting_Point | 46-48° | Alfa-Aesar |
| MP | 47 - 49 | Enamine Building Blocks |
| M.P | 47-49 °C | Indofine |
| MP | 47-49° | Oakwood Chemical |
| MP | 47...49 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | APIChem |
| Purity | 99% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | 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 |
| R phrase | R22: Harmful if swallowed. | 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.