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1-Bromo-4-Cyclohexylbenzene
CAS: 25109-28-8 | C12H15Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25109-28-8
Molecular Formula:
C12H15Br
Molecular Mass:
239.16 g/mol
Names and Synonyms:
1-Bromo-4-Cyclohexylbenzene
Benzene, 1-bromo-4-cyclohexyl-
Cyclohexane, (p-bromophenyl)-
1-Bromo-4-cyclohexylbenzene
4-Cyclohexylbromobenzene
4-Bromocyclohexylbenzene
p-Bromocyclohexylbenzene
NSC 67355
(4-Bromophenyl)cyclohexane
Identifiers:
SMILES:
Brc1ccc(C2CCCCC2)cc1
InChI:
InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
Key Properties
Boiling Point
153-155 °C @ Press: 9 Torr
CAS Common Chemistry
Density
1.29 g/cm³
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 | 239.16 g/mol | CAS Common Chemistry |
| 239.15599999999992 g/mol | RDKit | |
| 238.03571258 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.288 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Boiling Point | 153-155 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC1=CC=C(C=C1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LVIJLEREXMVRAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-4-cyclohexylbenzene | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.496800000000003 | RDKit |
| Molar Refractivity | 59.96800000000003 | RDKit |
