| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 16 | Yes |
Popular Name: 4-Phenoxybenzoic acid 4-Phenoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 139-61-7 , 2215-77-2 , [2215-77-2]
| 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) | 3.60 | 7.98 | -45.92 | 0 | 3 | -1 | 49 | 213.212 | 3 | ↓ |
| Hi High (pH 8-9.5) | 8.70 | 20.26 | -9.4 | 0 | 5 | 0 | 51 | 549.674 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 154 - 156 | Enamine Building Blocks |
| MP | 154...156 | Enamine Building Blocks |
| Mp [°C] | 160 - 164 | Acros Organics |
| Melting_Point | 160-164? | Alfa-Aesar |
| Melting_Point | 160-164° | Alfa-Aesar |
| MP | 162 | TCI |
| MP | 163 - 165 | Enamine Building Blocks |
| M.P | 163-165 °C | Indofine |
| MP | 163-165° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| UniProt Database Links | POBA_PSEPS; POBB_PSEPS | ChEBI |
| R phrase | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
