Compound: 4-Nitrophenol
SMILES: O=[N+]([O-])c1ccc(O)cc1
InChIKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
Synonyms: 4-Nitrophenol, p-nitrophenol, 100-02-7, Phenol, 4-nitro-, Paranitrophenol, Niphen, 4-Hydroxynitrobenzene, p-Hydroxynitrobenzene, para-nitrophenol, Phenol, p-nitro-, Paranitrofenol, Paranitrofenolo, 4-Nitrofenol, NCI-C55992, 1-Hydroxy-4-nitrobenzene, Y92ZL45L4R, DTXSID0021834, CHEBI:16836, NSC-1317, 4-Hydroxy-1-nitrobenzene, DTXCID201834, RefChem:100077, 202-811-7, Mononitrophenol, p-Nitrofenol, RCRA waste number U170, Caswell No. 603, p-Nitrofenol [Czech], Paranitrofenol [Dutch], 4-Nitrofenol [Dutch], Paranitrofenolo [Italian], PNP, MFCD00007331, Paranitrophenol [French,German], 4-nitro-phenol, RCRA waste no. U170, NSC 1317, UN1663, EPA Pesticide Chemical Code 056301, AI3-04856, p-Nitrophenol [UN1663]  [Poison], CAS-100-02-7, NPO, CCRIS 2316, HSDB 1157, EINECS 202-811-7, UNII-Y92ZL45L4R, p-nitro phenol, 4-nitryl phenol, 4- nitrophenol, 4-nitro phenol, 4-nitrophenol-, 3qvu, RPN, NITROPHENOL, P-, PHENOL,4-NITRO, 4-Nitrophenol (NIST), WLN: WNR DQ, bmse000223, Epitope ID:161303, O2NC6H4OH, EC 202-811-7, P-NITROPHENOL [MI], SCHEMBL1839, Acetaminophen EP Impurity F, SCHEMBL26686, 4-NITROPHENOL [HSDB], CHEMBL14130, SCHEMBL973063, P-NITROPHENOL [MART.], SCHEMBL2441755, SGCUT00249, SR-1C2, 4-Nitrophenol, puriss., 99%, SCHEMBL13906248, SCHEMBL14501907, BDBM31678, NSC1317, 4-Nitrophenol, Reference Material, to_000002, Tox21_202444, Tox21_300117, 4-Nitrophenol, reagent grade, 98%, EBC-03121, MSK9037-100M, s6196, SBB040875, STL281865, AKOS000118985, MSK9037-1000M, 4-Nitrophenol, spectrophotometric grade, DB04417, FN00318, RP10002, NCGC00247904-01, NCGC00247904-02, NCGC00254220-01, NCGC00259993-01, 4-Nitrophenol 100 microg/mL in Methanol, 4-Nitrophenol, ReagentPlus(R), >=99%, AS-13146, BP-20405, 4-Nitrophenol 10 microg/mL in Acetonitrile, DS-005476, N0161, N0162, N0220, NS00010495, PARACETAMOL IMPURITY F [EP IMPURITY], ST50214472, EN300-18010, 4-Nitrophenol Solution in Methanol, 100ug/mL, 4-Nitrophenol, JIS special grade, >=99.0%, C00870, 4-Nitrophenol Solution in Methanol, 1000ug/mL, 4-Nitrophenol, PESTANAL(R), analytical standard, AE-562/40217722, Q656269, Z57127483, F9995-1636, 4-Nitrophenol, certified reference material, TraceCERT(R), InChI=1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8
Theoretical properties:
molecular_formula: C6H5NO3
molecular_weight: 139.11 g/mol
exact_mass: 139.026943022 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 66.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless to slightly yellow crystals
color: Colorless to slightly yellow crystals
odor: Odorless
boiling_point: 534 °F at 760 mmHg (Decomposes) (NTP, 1992)
melting_point: 235 to 239 °F (Sublimes) (NTP, 1992)
density: 1.48 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992)
flash_point: 377 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 68 °F ; 18.7 mmHg at 367 °F; 2.2 mmHg at 295 °F (NTP, 1992)
Descriptions:
pubchem: 4-nitrophenol is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 4-nitrophenolate.
chebi: A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is <em>para</em> to the hydroxy group has been replaced by a nitro group.
chembl: P-NITROPHENOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Nitrophenol (also called p-nitrophenol or 4-hydroxynitrobenzene) is a phenolic compound that has a nitro group at the opposite position of the hydroxyl group on the benzene ring.