| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 12 | Yes |
Popular Name: 5-Bromoisatin 5-Bromoisatin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20870-78-4 , 87-48-9 , 99304-37-7 , [87-48-9]
| 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) | 1.62 | 2.6 | -8.74 | 1 | 3 | 0 | 50 | 226.029 | 0 | ↓ |
| Ref Reference (pH 7) | 2.07 | -0.17 | -5.94 | 1 | 3 | 0 | 50 | 226.029 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 0.64 | -39.91 | 0 | 3 | -1 | 53 | 225.021 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 247 - 252 | Enamine Building Blocks |
| MP | 247...252 | Enamine Building Blocks |
| Mp [°C] | 251 - 253 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | APIChem |
| Melting_Point | ca 250? dec. | Alfa-Aesar |
| Melting_Point | ca 250° dec. | Alfa-Aesar |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear 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; P310: Immediately call a POISON CENTER or doctor/physician; P26 | Acros Organics |
| R phrase | R37/38: Irritating to respiratory system and skin. | Acros Organics |
| R phrase | R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
