| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 10 | No |
Popular Name: 4-Nitrophenol 4-Nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-02-7 , 2/7/100 , 25154-55-6 , 824-78-2 , [100-02-7]
100-02-7; 4-Hydroxynitrobenzene; 4-Nitrophenol; C00870; Niphen; PNP; p-Nitrophenol
100-02-7; 4-hydroxynitrobenzene; 4-nitrophenol; PNP; niphen; p-nitrophenol
4-Nitrophenol (0.25% in Water) [for pH Determination]
CHEBI:1913; CHEBI:44390; CHEBI:12034; CHEBI:20457
LS-105009; Phenol, p-nitro-, zinc salt; p-Nitrophenol zinc salt
p-hydroxynitrobenzene; paranitrophenol
| 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) | 1.42 | 2.35 | -7.2 | 1 | 4 | 0 | 66 | 139.11 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 110 - 113 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 110-115? | Alfa-Aesar |
| Melting_Point | 110-115° | Alfa-Aesar |
| BP [°C] | 279 | Acros Organics |
| Boiling_Point | 279? dec. | Alfa-Aesar |
| Boiling_Point | 279° dec. | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.60e+00 g/l | DrugBank-experimental |
| MP | 300 - 302 | Enamine Building Blocks |
| MP | 300...302 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Mp [°C] | >112 | Acros Organics |
| UniProt Database Links | ACTH_THEAC; AGLB_THEMA; AGLB_THENE; AGTA_DICDI; AMNA_COMTE; AMNB_COMTE; CDA_MYROD; CELK_CLOTM; CHID_VIBFU; CHST4_HUMAN; CHST4_MOUSE; CP2E1_BOVIN; CP2E1_CANFA; CP2E1_HUMAN; CP2E1_MACFA; CP2E1_MACMU; CP2E1_MESAU; CP2E1_MOUSE; CP2E1_PIG; CP2E1_RABIT; CP2E1_R | ChEBI |
| UniProt Database Links | CP2E1_BOVIN; CP2E1_CANFA; CP2E1_HUMAN; CP2E1_MACFA; CP2E1_MACMU; CP2E1_MESAU; CP2E1_MOUSE; CP2E1_PIG; CP2E1_RABIT; CP2E1_RAT; NFRA2_BACSU; NPCA_RHOOP; NPCB_RHOOP; NPHA1_RHOSO; NPHA2_RHOSO; NPHR_RHOSO; PNPA_PSEWB; PNPB_PSEWB; PNPP_SCHPO; PNPP_YEAST; PPAF1_ | ChEBI |
| PUBCHEM_PATENT_ID | EP0622354A3; EP0622354B1; US5648535 | IBM Patent Data |
| Patent Database Links | EP0940681; EP1498406; EP1589011; EP1676837; EP1935426; US2002155065; US2003144275; US2004115165; US2005014721; US2005038105; US2005159584; US2006100442; WO2006131833 | 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; H332: Harmful if inhaled; H312: Harmful in contact with skin; H301: Toxic if swallowed | 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P26 | 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. | Acros Organics |
| Reactome Database Links | REACT_6855 | ChEBI |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Cytosolic sulfonation of small molecules |
