Back to Search
2,5-Dibromo-P-Xylene
CAS: 1074-24-4 | C8H8Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1074-24-4
Molecular Formula:
C8H8Br2
Molecular Mass:
263.96 g/mol
Names and Synonyms:
2,5-Dibromo-P-Xylene
Benzene, 1,4-dibromo-2,5-dimethyl-
p-Xylene, 2,5-dibromo-
1,4-Dibromo-2,5-dimethylbenzene
2,5-Dimethyl-1,4-dibromobenzene
2,5-Dibromo-p-xylene
2,5-Dibromo-1,4-dimethylbenzene
2,5-Dibromo-1,4-xylene
NSC 106321
Identifiers:
SMILES:
Cc1cc(Br)c(C)cc1Br
InChI:
InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
Key Properties
Melting Point
73.5-74.0 °C @ Solvent: Ethanol
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 | 263.96 g/mol | CAS Common Chemistry |
| 263.96000000000004 g/mol | RDKit | |
| 261.899274456 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(C(Br)=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QENIALCDPFDFHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.5-74.0 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2,5-Dibromo-p-xylene | 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 |
| Molar Refractivity | 51.31600000000002 | RDKit |
