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520-03-6 molecular structure
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2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione

ChemBase ID: 151447
Molecular Formular: C14H9NO2
Molecular Mass: 223.22676
Monoisotopic Mass: 223.06332853
SMILES and InChIs

SMILES:
c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Canonical SMILES:
O=C1N(c2ccccc2)C(=O)c2c1cccc2
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
InChIKey:
MFUPLJQNEXUUDW-UHFFFAOYSA-N

Cite this record

CBID:151447 http://www.chembase.cn/molecule-151447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC Traditional name
2-phenylisoindole-1,3-dione
Synonyms
N-Phenylphthalimide
2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione
2-Phenylisoindole-1,3-dione
N-苯基邻苯二甲酰亚胺
CAS Number
520-03-6
EC Number
208-282-9
MDL Number
MFCD00023044
PubChem SID
24866065
162245600
PubChem CID
68215

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 68215 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5750575  LogD (pH = 7.4) 2.5750575 
Log P 2.5750575  Molar Refractivity 63.9891 cm3
Polarizability 24.087322 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
204-207 °C(lit.) expand Show data source
208 - 210°C expand Show data source
Hydrophobicity(logP)
2.393 expand Show data source
RTECS
TI5635800 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C14H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 416274 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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