| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2008 | 13 | No |
Popular Name: 1-NITROSO-2-NAPHTHOL 1-NITROSO-2-NAPHTHOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131-91-9 , [131-91-9]
| 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) | 2.73 | 4.13 | -10.76 | 1 | 3 | 0 | 50 | 173.171 | 1 | ↓ |
| Ref Reference (pH 7) | 2.06 | 4.35 | -12.26 | 1 | 3 | 0 | 50 | 173.171 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 5.59 | -64.38 | 0 | 3 | -1 | 52 | 172.163 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.8 | -54.15 | 0 | 3 | -1 | 52 | 172.163 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 104 - 108 | Acros Organics |
| Melting_Point | 104-108? dec. | Alfa-Aesar |
| Melting_Point | 104-108° dec. | Alfa-Aesar |
| MP | 107 | TCI |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H400: Very toxic to aquatic life | Acros Organics |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure | Acros Organics |
| P phrase | P260: Do not breathe dust/fume/gas/mist/vapors/spray | 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; P273: Avoid release to th | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50: Very toxic to aquatic organisms. | Acros Organics |
| R phrase | R33: Danger of cumulative effects. | Acros Organics |
| S phrase | S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.