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Molecule
1,2-Dibromocyclopentene
CAS: 75415-78-0 · C5H6Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75415-78-0
- Molecular Formula
- C5H6Br2
- Molecular Mass
- 225.91 g/mol
Identifiers
CAS Registry Number
75415-78-0
SMILES
BrC1=C(Br)CCC1
InChI Key
PNWFXPGGROADNS-UHFFFAOYSA-N
InChI
InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2
Names and Synonyms
- 1,2-Dibromocyclopentene Systematic Name
- Cyclopentene, 1,2-dibromo- Synonym
- 1,2-Dibromocyclopentene Synonym
- 1,2-Dibromo-1-cyclopentene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.91 g/mol | CAS Common Chemistry |
| 225.91099999999994 g/mol | RDKit | |
| 225.911 g/mol | RDKit | |
| Density | 1.89 g/cm³ | CAS Common Chemistry |
| 1.8867 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | BrC1=C(Br)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PNWFXPGGROADNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Dibromocyclopentene | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1717000000000004 | RDKit |
| 3.1717 | RDKit | |
| 3.11 | chempirical lib | |
| Molar Refractivity | 38.73100000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 223.883624392 g/mol | RDKit |
| Boiling Point | 78-79 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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
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MW = 225.91 g/mol; density = 1.890 g/mL. Edit any field — others recompute live.
