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2,3-Dibromopropyl Acrylate
CAS: 19660-16-3 | C6H8Br2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19660-16-3
Molecular Formula:
C6H8Br2O2
Molecular Mass:
271.94 g/mol
Names and Synonyms:
2,3-Dibromopropyl Acrylate
2-Propenoic acid, 2,3-dibromopropyl ester
Acrylic acid, 2,3-dibromopropyl ester
1-Propanol, 2,3-dibromo-, acrylate
2,3-Dibromopropyl acrylate
2,3-Dibromopropyl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OCC(Br)CBr
InChI:
InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2
Key Properties
Boiling Point
105 °C @ Press: 6 Torr
CAS Common Chemistry
Density
1.78 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 | 271.94 g/mol | CAS Common Chemistry |
| 271.936 g/mol | RDKit | |
| 269.889103696 g/mol | RDKit | |
| Density | 1.78 g/cm³ | CAS Common Chemistry |
| 1.7803 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 105 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(Br)CBr)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MUKJDVAYJDKPAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dibromopropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.8739999999999999 | RDKit |
| Molar Refractivity | 47.66500000000001 | RDKit |
