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1,4-Dibromo-2,3-Bis(Bromomethyl)-2-Butene
CAS: 30432-16-7 | C6H8Br4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30432-16-7
Molecular Formula:
C6H8Br4
Molecular Mass:
399.75 g/mol
Names and Synonyms:
1,4-Dibromo-2,3-Bis(Bromomethyl)-2-Butene
2-Butene, 1,4-dibromo-2,3-bis(bromomethyl)-
1,4-Dibromo-2,3-bis(bromomethyl)-2-butene
Tetrakis(bromomethyl)ethylene
Tetra(bromomethyl)ethene
Identifiers:
SMILES:
BrCC(CBr)=C(CBr)CBr
InChI:
InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
Key Properties
Melting Point
158-159 °C @ Solvent: Cyclohexane
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 | 399.75 g/mol | CAS Common Chemistry |
| 399.746 g/mol | RDKit | |
| 395.735948656 g/mol | RDKit | |
| Canonical SMILES | BrCC(=C(CBr)CBr)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GJZKNORRVIUCCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158-159 °C @ Solvent: Cyclohexane | CAS Common Chemistry |
| Name | 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8626000000000014 | RDKit |
| Molar Refractivity | 62.20200000000001 | RDKit |
