Back to Search
2-(4-Bromophenoxy)Tetrahydro-2H-Pyran
CAS: 36603-49-3 | C11H13BrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36603-49-3
Molecular Formula:
C11H13BrO2
Molecular Mass:
257.13 g/mol
Names and Synonyms:
2-(4-Bromophenoxy)Tetrahydro-2H-Pyran
2H-Pyran, 2-(4-bromophenoxy)tetrahydro-
Pyran, 2-(p-bromophenoxy)tetrahydro-
2-(4-Bromophenoxy)tetrahydro-2H-pyran
p-Bromotetrahydro-2-(pyranyloxy)benzene
p-(2-Tetrahydropyranyloxy)phenyl bromide
4-(2-Tetrahydropyranyloxy)phenyl bromide
4-Bromophenyl 2-tetrahydropyranyl ether
p-(Tetrahydropyranyloxy)phenyl bromide
4-(2-Tetrahydropyranyloxy)bromobenzene
2-(4-Bromophenoxy)tetrahydropyran
2-(4-Bromophenoxy)-2H-tetrahydropyran
4-Bromophenyl THP ether
1-Bromo-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzene
2-(4-Bromophenoxy)oxane
Identifiers:
SMILES:
Brc1ccc(OC2CCCCO2)cc1
InChI:
InChI=1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
Key Properties
Boiling Point
109 °C @ Press: 0.26 Torr
CAS Common Chemistry
Melting Point
57-57.5 °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 | 257.13 g/mol | CAS Common Chemistry |
| 257.1269999999999 g/mol | RDKit | |
| 256.009891756 g/mol | RDKit | |
| Boiling Point | 109 °C @ Press: 0.26 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC1=CC=C(OC2OCCCC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MXDQGXMBJCGRCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-57.5 °C | CAS Common Chemistry |
| Name | 2-(4-Bromophenoxy)tetrahydro-2H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.3545000000000016 | RDKit |
| Molar Refractivity | 58.36100000000003 | RDKit |
