3-Nitrophthalimide

C8H4N2O4CAS 603-62-3192.13 g/mol

Open in Covalent MOL file
OHNON+OO−
Nitro

Properties

Molecular formula
C8H4N2O4
Molar mass
192.13 g/mol
Exact mass
192.0171 Da
Melting point
214 °C
logP
1.05Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
603-62-3
SMILES
O=C1N=C(O)c2cccc([N+](=O)[O-])c21
InChIKey
BONIIQYTWOPUQI-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Isoindole-1,3(2H)-dione, 4-nitro-
  • Phthalimide, 3-nitro-
  • 4-Nitro-1H-isoindole-1,3(2H)-dione
  • NSC 5393
  • 4-Nitroisoindoline-1,3-dione

Work with 3-Nitrophthalimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Nitrophthalic acid603-11-259 % similar 1,5-Dinitro-9,10-anthracenedione82-35-956 % similar 1,8-Dinitro-9,10-anthracenedione129-39-555 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-355 % similar 3-Aminophthalimide2518-24-354 % similar o-Nitrobenzohydrazide606-26-853 % similar 3-Nitro-1,2-benzenedicarboxamide96385-50-153 % similar 1-Nitroanthraquinone82-34-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyano-3-nitrobenzoic acid153775-42-9 5-Nitroisatin611-09-6 4-Nitrophthalimide89-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook