Compound: 4-NITROBENZOIC ACID
SMILES: O=[N+]([O-])c1ccc(C(=O)O)cc1
InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N
Synonyms: 4-NITROBENZOIC ACID, p-Nitrobenzoic acid, 62-23-7, Benzoic acid, 4-nitro-, Nitrodracylic acid, 4-Nitrodracylic acid, 1-Carboxy-4-nitrobenzene, p-Nitrobenzenecarboxylic acid, Benzoic acid, p-nitro-, p-Nitrodracylic acid, para-nitrobenzoic acid, DTXSID3020966, G83NWR61OW, NSC-7707, DTXCID90966, CHEBI:262350, RefChem:100048, 200-526-2, Kyselina p-nitrobenzoova, MFCD00007352, NSC 7707, 4-Nitro-benzoic acid, CHEMBL101263, CAS-62-23-7, 4-Nitrobenzoicacid, p-nitro benzoic acid, CCRIS 1185, HSDB 2140, Kyselina p-nitrobenzoova [Czech], EINECS 200-526-2, UNII-G83NWR61OW, AI3-00149, p-nitro-benzoicacid, 4NB, p-Carboxynitrobenzene, p-nitro-benzoic acid, 4-Nitro benzoic acid, WLN: WNR DVQ, EC 200-526-2, 4-Nitrobenzoic acid, 98%, SCHEMBL43476, 4-Nitrobenzenecarboxylic acid, PARA NITROBENZOIC ACID, MLS002454442, SCHEMBL180511, orb1745271, SCHEMBL3282224, SCHEMBL10590027, SCHEMBL15630318, MSK2747, NSC7707, HMS3041D05, HY-Y0607, STR01385, Tox21_201258, Tox21_300131, BDBM50405310, EBC-03319, SBB058196, STL168880, 4-Nitrobenzoic acid, puriss., 99%, 4-NITROBENZOIC ACID [USP-RS], AKOS000118872, AKOS015831344, AKOS024268501, CS-W020075, FN30591, PB43175, NCGC00091607-01, NCGC00091607-02, NCGC00091607-03, NCGC00091607-04, NCGC00253917-01, NCGC00258810-01, AC-10993, BP-30196, PD033171, SMR001252222, SY002161, N0156, NS00015670, ST50406177, EN300-18011, 4-Nitrobenzoic Acid; Benzocaine EP Impurity E, C18625, D70606, 4-Nitrobenzoic acid, purum, >=98.0% (HPLC), AE-562/40227261, F160520, 4-Nitrobenzoic Acid(Discontinued,See C4X-25793), 4-Nitrobenzoic acid, Vetec(TM) reagent grade, 98%, Q2823227, 4-AMINOBENZOIC ACID IMPURITY A [EP IMPURITY], Z57127484, F2191-0089, 4-Nitrobenzoic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10, p-Nitrobenzenecarboxylic acid, Nitrodracylic acid, p-Nitrobenzoic acid, NSC 7707, Benzoic acid, p-nitro- (8CI), 4-Nitrobenzoic acid, p-Carboxynitrobenzene,4-Nitrobenzoic acid
Theoretical properties:
molecular_formula: C7H5NO4
molecular_weight: 167.12 g/mol
exact_mass: 167.02185764 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 83.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic leaf from water crystallization
color: Monoclinic leaf from water crystallization
boiling_point: Sublimes (NTP, 1992)
melting_point: 468 °F (NTP, 1992)
density: 1.55 at 90 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 79 °F (NTP, 1992)
flash_point: 396 °F (NTP, 1992)
vapor_pressure: 0.00000253 [mmHg]
Descriptions:
pubchem: 4-nitrobenzoic acid is a nitrobenzoic acid having the nitro group at the 4-position. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-nitrobenzoate.
chebi: A nitrobenzoic acid having the nitro group at the 4-position.
chembl: 4-NITROBENZOIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Nitrobenzoic acid is an organic compound with the formula C6H4(NO2)CO2H. It is a pale yellow solid. It is a precursor to 4-nitrobenzoyl chloride, the precursor to the anesthetic procaine and folic acid. It is also a precursor to 4-aminobenzoic acid.