Back to Search
Dibromo-N-Methylmaleimide
CAS: 3005-27-4 | C5H3Br2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3005-27-4
Molecular Formula:
C5H3Br2NO2
Molecular Mass:
268.89 g/mol
Names and Synonyms:
Dibromo-N-Methylmaleimide
1H-Pyrrole-2,5-dione, 3,4-dibromo-1-methyl-
Maleimide, 2,3-dibromo-N-methyl-
3,4-Dibromo-1-methyl-1H-pyrrole-2,5-dione
N-Methyl-2,3-dibromomaleimide
3,4-Dibromo-N-methylpyrrole-2,5-dione
Dibromo-N-methylmaleimide
N-Methyldibromomaleimide
2,3-Dibromo-N-methylmaleimide
3,4-Dibromo-N-methylmaleimide
1-Methyl-3,4-dibromomaleimide
NSC 120444
3,4-Dibromo-1-methyl-2,5-dihydropyrrole-2,5-dione
3,4-Dibromo-1-methylpyrrole-2,5-dione
Identifiers:
SMILES:
CN1C(=O)C(Br)=C(Br)C1=O
InChI:
InChI=1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
Key Properties
Melting Point
120 °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 | 268.89 g/mol | CAS Common Chemistry |
| 268.892 g/mol | RDKit | |
| 266.853052536 g/mol | RDKit | |
| Canonical SMILES | O=C1C(Br)=C(Br)C(=O)N1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CKITYUQKOJMMOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | Dibromo-N-methylmaleimide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 0.9863999999999999 | RDKit |
| Molar Refractivity | 42.657000000000004 | RDKit |
