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Molecule
1,5-Dibromo-2,4-Dimethylbenzene
CAS: 615-87-2 · C8H8Br2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 615-87-2
- Molecular Formula
- C8H8Br2
- Molecular Mass
- 263.96 g/mol
Identifiers
CAS Registry Number
615-87-2
SMILES
Cc1cc(C)c(Br)cc1Br
InChI Key
SOYPUUFPUFRXRI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
Names and Synonyms
- 1,5-Dibromo-2,4-Dimethylbenzene Systematic Name
- Benzene, 1,5-dibromo-2,4-dimethyl- Synonym
- m-Xylene, 4,6-dibromo- Synonym
- 1,5-Dibromo-2,4-dimethylbenzene Synonym
- 4,6-Dibromo-1,3-xylene Synonym
- 4,6-Dibromo-m-xylene Synonym
- 2,4-Dibromo-1,5-dimethylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 69 °C | CAS Common Chemistry |
| Molecular Mass | 263.96 g/mol | CAS Common Chemistry |
| 263.96000000000004 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(Br)C(=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Br2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SOYPUUFPUFRXRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,5-Dibromo-2,4-dimethylbenzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8284400000000014 | RDKit |
| 3.8284 | RDKit | |
| 3.57 | chempirical lib | |
| Molar Refractivity | 51.316000000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 261.899274456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 263.96 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8Br2.
