Compound: PHTHALIMIDE
SMILES: O=C1NC(=O)c2c1cccc2
InChIKey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
Synonyms: PHTHALIMIDE, 85-41-6, Isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, o-Phthalic imide, Benzoimide, 1,3-Isoindolinedione, 2-Diazoindan-1,3-dione, Phenylimide, Phthalimid, 1,2-Benzenedicarboximide, Ftalimmide, 1J6PQ7YI80, DTXSID3026514, NSC-3108, DTXCID506514, CHEBI:38817, RefChem:6138, 201-603-3, 621-254-4, isoindoline-1,3-dione, 2,3-dihydro-1H-isoindole-1,3-dione, phtalimide, O-Phthalimide, 1,3-Dihydroisoindole-1,3-dione, NSC 3108, MFCD00005881, 1,3-Isoindoledione, 223537-84-6, Phthalimid [German], Ftalimmide [Italian], 2H-benzo[c]azoline-1,3-dione, CAS-85-41-6, 136918-14-4, Phthalic dicarboximide, Phthalimide; Tafenoquine related; SKF-2450, HSDB 5007, 1,3-Dihydro-1,3-dioxoisoindole, EINECS 201-603-3, BRN 0118522, isoindoledione, UNII-1J6PQ7YI80, Pthalimide, phthalimide-, AI3-07565, CCRIS 9479, hydroxyisoindolone, folpet TP1, hydroxy isoindolone, 1,3-dioxoisoindole, isoindol-1,3-dione, 1,3-Dihydro-2H-isoindole-1,3-dione, isoindoline-1,3 dione, Phthalimide, >=99%, 3-hydroxyisoindol-1-one, SCHEMBL64, isoindoline -1,3-dione, PHTHALIMIDE [MI], 1h-isoindole-1,3-dione, PHTHALIC ACID,IMIDE, EC 201-603-3, WLN: T56 BVMVJ, isoindole-1,3(2H)-dione, SCHEMBL19888, 5-21-10-00270 (Beilstein Handbook Reference), SCHEMBL132473, SCHEMBL156695, SCHEMBL606038, 1H-isoindole-1,3(2H)dione, 3-Hydroxy-1H-isoindol-1-one, CHEMBL277294, SCHEMBL1388700, SCHEMBL3098639, SCHEMBL3771399, SCHEMBL3793048, SCHEMBL3793049, 1H-isoindole-1,3(2H) dione, SCHEMBL29366030, 1H-isoindol-1,3-(2H)-dione, NSC3108, 1H-isoindole-1,3-(2H)-dione, Tox21_201800, Tox21_303319, BBL037023, BDBM50350644, SBB059859, STK299439, 2,3-dihydro-1H-isoindole-1,3-dion, AKOS000119824, EBC-151075, FP31525, FS-3820, NCGC00249121-01, NCGC00249121-02, NCGC00257137-01, NCGC00259349-01, Phthalimide, puriss., >=99.0% (T), DS-002743, phthalimide [1h-isoindole-1,3(2h)-dione], NS00010682, P0402, ST45061499, EN300-17966, Phthalimide, PESTANAL(R), analytical standard, AP-770/40217754, F358204, Q412784, Z57127356, F9995-1638, Phthalic dicarboximide; Phthalimide; Isoindole-1,3-dione, InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11
Theoretical properties:
molecular_formula: C8H5NO2
molecular_weight: 147.13 g/mol
exact_mass: 147.032028402 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 11
topological_polar_surface_area: 46.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: MONOCLINIC PRISMS FROM WATER OR BY SUBLIMATION
color: MONOCLINIC PRISMS FROM WATER OR BY SUBLIMATION
boiling_point: Sublimes (NTP, 1992)
melting_point: 460 °F (NTP, 1992)
solubility: less than 1 mg/mL at 67.1 °F (NTP, 1992)
vapor_pressure: 0.00000001 [mmHg]
Descriptions:
pubchem: Phthalimide is a dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.
chebi: A  dicarboximide that is 2,3-dihydro-1<em>H</em>-isoindole substituted by oxo groups at positions 1 and 3.
chembl: PHTHALIMIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phthalimide is the organic compound with the formula C6H4(CO)2NH. It is the imide derivative of phthalic anhydride. It is a sublimable white solid that is slightly soluble in water but more so upon addition of base. It is used as a precursor to other organic compounds as a masked source of ammonia.