N-Phenylphthalimide - CAS 520-03-6

Catalog:	BB027678
Product Name:	N-Phenylphthalimide
CAS:	520-03-6
Synonyms:	2-phenylisoindole-1,3-dione

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Computed Properties

IUPAC Name:	2-phenylisoindole-1,3-dione
Description:	N-Phenylphthalimide (CAS# 520-03-6) is a useful research chemical.
Molecular Weight:	223.23
Molecular Formula:	C14H9NO2
Canonical SMILES:	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI:	InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
InChI Key:	MFUPLJQNEXUUDW-UHFFFAOYSA-N
Boiling Point:	388.8 °C at 760 mmHg
Melting Point:	204-207 °C
Purity:	95 %
Density:	1.338 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00023044
LogP:	2.55220

Publication Number	Title	Priority Date
US-2021186012-A1	Agricultural compositions and methods of use thereof	20191218
US-2021186020-A1	Agricultural compositions and methods of use thereof	20191218
WO-2021126894-A1	Agricultural compositions and methods of use thereof	20191218
WO-2021126895-A1	Agricultural compositions and methods of use thereof	20191218
WO-2021115916-A1	Suspension concentrate	20191213

PMID	Publication Date	Title	Journal
21778064	20110815	Inhibition of monoamine oxidase by C5-substituted phthalimide analogues	Bioorganic & medicinal chemistry
21696158	20110811	Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening	Journal of medicinal chemistry
20561792	20100715	Development of tryptase inhibitors derived from thalidomide	Bioorganic & medicinal chemistry
19583260	20091210	Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors	Journal of medicinal chemistry
19721243	20090901	Glycogen phosphorylase a inhibitors with a phenethylphenylphthalimide skeleton derived from thalidomide-related alpha-glucosidase inhibitors and liver X receptor antagonists	Biological & pharmaceutical bulletin

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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:	223.06332853
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4