CAS 520-03-6 N-Phenylphthalimide (HCID 68215)

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Basic information

CAS: 520-03-6
Standard SMILES: O=C1c2ccccc2C(=O)N1c1ccccc1
InChIKey: MFUPLJQNEXUUDW-UHFFFAOYSA-N
Molecular formula: C14H9NO2
Average molar mass: 223.23 g/mol
Monoisotopic mass: 223.06332853

Overview

structure given in first source

Names & identifiers

Preferred name: N-Phenylphthalimide
IUPAC: 2-phenylisoindole-1,3-dione
English name: N-PHENYLPHTHALIMIDE
Molecular formula: C14H9NO2
Molecular weight: 223.23

Names & synonyms

N-Phenylphthalimide520-03-6PhthalanilPhthalimide, N-phenyl-1H-Isoindole-1,3(2H)-dione, 2-phenyl-LA29QA196MNSC-2769DTXSID30601662-PHENYL-1,3-ISOINDOLINEDIONERefChem:831002DTXCID7041120208-282-9

Show more names

PP-00Phenylphthalimiden-phenyl-phthalimidPhthalimide,N-phenyl-N-Phenylphthalimide, 98+%

2-phenylisoindole-1,3-dione2-Phenyl-isoindole-1,3-Dione2-phenylisoindoline-1,3-dione2-Phenyl-1H-isoindole-1,3(2H)-dione2-phenyl-2,3-dihydro-1H-isoindole-1,3-dioneN-Phenyl-4-nitrophthalimideMFCD00023044CHEMBL9020

Database identifiers

CAS: 520-03-6
PubChem CID: 68215
DTXSID: DTXSID3060166
ChEMBL: CHEMBL9020
UNII: LA29QA196M
EC Number: 208-282-9
Nikkaji: J6.598F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 309

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP2.4

Physicochemical properties

Melting point: 204 · 204-207 °C(lit.)
Boiling point: 364.52 °C · 364.52°C (rough estimate)
Density: 1.1814 · 1.1814 (rough estimate)
refractive index: 1.47 · 1.4700 (estimate)
storage temp.: 2 · 2-8°C
pka: -0.54 · -0.54±0.20(Predicted)
form: powder
Appearance: White to off-white Solid
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
InChIKey: MFUPLJQNEXUUDW-UHFFFAOYSA-N
SMILES: O=C1N(c2ccccc2)C(=O)c3ccccc13

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.