3-Nitrophthalimide - CAS 603-62-3

Catalog:	BB030666
Product Name:	3-Nitrophthalimide
CAS:	603-62-3
Synonyms:	4-nitroisoindole-1,3-dione; 4-nitroisoindole-1,3-dione

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Computed Properties

IUPAC Name:	4-nitroisoindole-1,3-dione
Description:	3-Nitrophthalimide (CAS# 603-62-3) is a nitro heterocyclic compounds found to exhibit potential antifungal activities. Dyes and metabolites.
Molecular Weight:	192.13
Molecular Formula:	C8H4N2O4
Canonical SMILES:	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O
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)
InChI Key:	BONIIQYTWOPUQI-UHFFFAOYSA-N
Density:	1.609 g/cm³
MDL:	MFCD00041852
LogP:	1.33040

Publication Number	Title	Priority Date
CN-112554748-A	Explosion-proof and radiation-resistant civil air defense door convenient to open and close and production process thereof	20201226
CN-112047680-A	Building material	20200819
CN-111748003-A	N-acetamido galactose modified 3-nitrophthalimide derivative, preparation method and application thereof, and liver targeting probe	20200624
CN-111748003-B	N-acetamido galactose modified 3-nitrophthalimide derivative, preparation method and application thereof, and liver targeting probe	20200624
CN-111807798-A	Sulfate-resistant concrete and preparation method thereof	20200617

PMID	Publication Date	Title	Journal
15579970	20041201	Isomeric nitrophthalimides: sheets built from N-H...O and C-H...O hydrogen bonds	Acta crystallographica. Section C, Crystal structure communications

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.01710661
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.01710661
Rotatable Bond Count:	0
Topological Polar Surface Area:	92 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5