| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 10 | No |
Popular Name: 2-Nitrophenol 2-Nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25154-55-6 , 51-28-5 , 824-39-5 , 88-75-5 , [824-39-5] , [88-75-5]
2-hydroxynitrobenzene; o-hydroxynitrobenzene; o-nitrophenol
2-Nitrophenol; 88-75-5; C01988; o-Nitrophenol
2-nitrophenol; 88-75-5; CPD-258; o-nitrophenol
| 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) | 1.63 | 3.26 | -9.41 | 1 | 4 | 0 | 66 | 139.11 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 214 - 216 | Acros Organics |
| Boiling_Point | 214-216? | Alfa-Aesar |
| Boiling_Point | 214-216° | Alfa-Aesar |
| BP | 216 | TCI |
| Mp [°C] | 43 - 47 | Acros Organics |
| mp | 44 - 45 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 44-48? | Alfa-Aesar |
| Melting_Point | 44-48° | Alfa-Aesar |
| MP | 45 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | AMNA_COMTE; AMNB_COMTE | ChEBI |
| Patent Database Links | EP1479667; EP1867626; US2004138502 | ChEBI |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure | Acros Organics |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure; H412: Harmful to aquatic life with long lasting effects; H332: Harmful if inhaled; H302: Harmful if swallowed | Acros Organics |
| P phrase | P260: Do not breathe dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P260: Do not breathe dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R33: Danger of cumulative effects.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety data she | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.