Back to Search
2,6-Dibromo-4-Methylphenol
CAS: 2432-14-6 | C7H6Br2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2432-14-6
Molecular Formula:
C7H6Br2O
Molecular Mass:
265.93 g/mol
Names and Synonyms:
2,6-Dibromo-4-Methylphenol
Phenol, 2,6-dibromo-4-methyl-
NSC 76596
p-Cresol, 2,6-dibromo-
2,6-Dibromo-4-methylphenol
2,6-Dibromo-p-cresol
Dibromocresol
2,6-Dibromo-4-cresol
Identifiers:
SMILES:
Cc1cc(Br)c(O)c(Br)c1
InChI:
InChI=1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
Key Properties
Boiling Point
280-286 °C @ Press: 97 Torr
CAS Common Chemistry
Melting Point
49-51 °C
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 | 265.93 g/mol | CAS Common Chemistry |
| 265.932 g/mol | RDKit | |
| 263.878539012 g/mol | RDKit | |
| Boiling Point | 280-286 °C @ Press: 97 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC=1C=C(C=C(Br)C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FIGPGTJKHFAYRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-51 °C | CAS Common Chemistry |
| Name | 2,6-Dibromo-4-methylphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.22562 | RDKit |
| Molar Refractivity | 48.243800000000014 | RDKit |
