| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Phthalide Phthalide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 591234-45-6 , 87-41-2 , [87-41-2]
| 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) | 1.55 | 4.86 | -9.85 | 0 | 2 | 0 | 26 | 134.134 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 289-291? | Alfa-Aesar |
| Boiling_Point | 289-291° | Alfa-Aesar |
| BP [°C] | 290 | Acros Organics |
| Mp [°C] | 70 - 73 | Acros Organics |
| MP | 71-74° | Oakwood Chemical |
| MP | 72 - 74 | Enamine Building Blocks |
| Melting_Point | 72-75? | Alfa-Aesar |
| Melting_Point | 72-75° | Alfa-Aesar |
| MP | 72...74 | Enamine Building Blocks |
| MP | 75 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36: Irritating to eyes. | 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.; S39: Wear eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
