| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | No |
Popular Name: 3-Nitrophenol 3-Nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 554-84-7 , [554-84-7]
3-Nitrophenol; 554-84-7; C14418; m-Hydroxynitrobenzene
| 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) | 1.39 | 2.34 | -8.06 | 1 | 4 | 0 | 66 | 139.11 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.11 | -38.41 | 0 | 4 | -1 | 69 | 138.102 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 194 (p=70 torr) | Acros Organics |
| BP | 194 / 70 | TCI |
| Boiling_Point | 194?/70mm | Alfa-Aesar |
| Boiling_Point | 194°/70mm | Alfa-Aesar |
| UniProt Database Links | 3HAPM_CUPPJ | ChEBI |
| MP | 89 - 95 | Enamine Building Blocks |
| MP | 89-95° | Fluorochem |
| MP | 89...95 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Melting_Point | 93-98? | Alfa-Aesar |
| Melting_Point | 93-98° | Alfa-Aesar |
| Mp [°C] | 94 - 98 | Acros Organics |
| purity | 95 | Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| MP | 98 | TCI |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP0967205 | 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; H318: Causes serious eye damage; H315: Causes skin irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P312: 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 position comfortable for breathing; P280: Wear protec | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R38: Irritating to skin.; R41: Risk of serious damage to eyes. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, s | Acros Organics |
| Warnings | Toxic | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5028700 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.