Back to Search
Molecule
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
Identifiers
CAS Registry Number
574-98-1
SMILES
O=C1c2ccccc2C(=O)N1CCBr
InChI Key
CHZXTOCAICMPQR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
Names and Synonyms
- N-(2-Bromoethyl)Phthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)- Synonym
- Phthalimide, N-(2-bromoethyl)- Synonym
- 2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione Synonym
- β-Phthalimidoethyl bromide Synonym
- N-(2-Bromoethyl)phthalimide Synonym
- N-(β-Bromoethyl)phthalimide Synonym
- 1-Bromo-2-phthalimidoethane Synonym
- 2-(2-Bromoethyl)phthalimide Synonym
- 2-Phthalimidoethyl bromide Synonym
- 2-(2-Bromoethyl)isoindole-1,3-dione Synonym
- NSC 2688 Synonym
- 2-(2-Bromoethyl)isoindoline-1,3-dione Synonym
- 2-(2-Bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione Synonym
- 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.08 g/mol | CAS Common Chemistry |
| 254.08299999999994 g/mol | RDKit | |
| 254.083 g/mol | RDKit | |
| 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 |
| 37.15 Ų | chempirical lib | |
| LogP | 1.6775 | RDKit |
| 1.8 | chempirical lib | |
| Molar Refractivity | 55.603000000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 252.973840596 g/mol | RDKit |
| Boiling Point | 167 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 254.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8BrNO2.
