| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 4'-Phenoxyacetophenone 4'-Phenoxyacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5031-78-7 , [5031-78-7]
| 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) | 3.59 | 2.34 | -7.5 | 0 | 2 | 0 | 26 | 212.248 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 200 (p=12 torr) | Acros Organics |
| BP | 325 | TCI |
| Boiling_Point | 325? | Alfa-Aesar |
| Boiling_Point | 325° | Alfa-Aesar |
| Mp [°C] | 48 - 52 | Acros Organics |
| MP | 48-50° | Fluorochem |
| Melting_Point | 48-52? | Alfa-Aesar |
| Melting_Point | 48-52° | Alfa-Aesar |
| MP | 50 | TCI |
| MP | 50 - 52 | Enamine Building Blocks |
| MP | 50-52° | Matrix Scientific |
| MP | 50...52 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0543950B1; EP0752440A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 |
| 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 |
