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N-(2-Bromoethyl)Phthalimide
CAS: 574-98-1 | C10H8BrNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
574-98-1
Molecular Formula:
C10H8BrNO2
Molecular Mass:
254.08 g/mol
Names and Synonyms:
N-(2-Bromoethyl)Phthalimide
1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
Phthalimide, N-(2-bromoethyl)-
2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione
β-Phthalimidoethyl bromide
N-(2-Bromoethyl)phthalimide
N-(β-Bromoethyl)phthalimide
1-Bromo-2-phthalimidoethane
2-(2-Bromoethyl)phthalimide
2-Phthalimidoethyl bromide
2-(2-Bromoethyl)isoindole-1,3-dione
NSC 2688
2-(2-Bromoethyl)isoindoline-1,3-dione
2-(2-Bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl bromide
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1CCBr
InChI:
InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
Key Properties
Boiling Point
167 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
82.5 °C
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 | 254.08 g/mol | CAS Common Chemistry |
| 254.08299999999994 g/mol | RDKit | |
| 252.973840596 g/mol | RDKit | |
| Boiling Point | 167 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CCBr | CAS Common Chemistry |
| InChI | InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CHZXTOCAICMPQR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82.5 °C | CAS Common Chemistry |
| Name | N-(2-Bromoethyl)phthalimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 1.6775 | RDKit |
| Molar Refractivity | 55.603000000000016 | RDKit |
