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N-Hydroxyphthalimide
CAS: 524-38-9 | C8H5NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
524-38-9
Molecular Formula:
C8H5NO3
Molecular Mass:
163.13 g/mol
Names and Synonyms:
N-Hydroxyphthalimide
1H-Isoindole-1,3(2H)-dione, 2-hydroxy-
Phthalimide, N-hydroxy-
2-Hydroxy-1H-isoindole-1,3(2H)-dione
N-Hydroxyphthalimide
F 802
2-Hydroxyphthalimide
2-Hydroxyisoindole-1,3-dione
N-Hydroxyphthalamide
NSC 770
2-Hydroxyisoindoline-1,3-dione
2-Hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1O
InChI:
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
Key Properties
Melting Point
233 °C (decomp)
CAS Common Chemistry
Density
1.57 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.13 g/mol | CAS Common Chemistry |
| 163.13199999999998 g/mol | RDKit | |
| 163.02694302 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.570 g/cm3 @ Temp: 22.4 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Hydroxyphthalimide | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1O | CAS Common Chemistry |
| InChI | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H | CAS Common Chemistry |
| InChI Key | InChIKey=CFMZSMGAMPBRBE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 233 °C (decomp) | CAS Common Chemistry |
| Name | N-Hydroxyphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | 0.6718 | RDKit |
| Molar Refractivity | 38.728500000000004 | RDKit |
