| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2006 | 11 | Yes |
Popular Name: 1-bromoisoquinoline 1-bromoisoquinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1532-71-4 , [1532-71-4]
| 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) | 2.98 | -0.36 | -5.94 | 0 | 1 | 0 | 13 | 208.058 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | -0.26 | -27.3 | 1 | 1 | 1 | 14 | 209.066 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 44 | TCI |
| Purity | 95% | Fluorochem |
| H phrase | H301: Toxic if swallowed; H318: Causes serious eye damage | Acros Organics |
| H phrase | H332: Harmful if inhaled | 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 | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R25: Toxic if swallowed.; 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 |
| Hazard | T: Toxic | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
