Back to Search
Diphenyl Ether
CAS: 101-84-8 | C12H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-84-8
Molecular Formula:
C12H10O
Molecular Mass:
170.21 g/mol
Names and Synonyms:
Diphenyl Ether
Benzene, 1,1′-oxybis-
Phenyl ether
1,1′-Oxybis[benzene]
Benzene, phenoxy-
Biphenyl oxide
Diphenyl ether
Diphenyl oxide
Phenoxybenzene
Phenyl oxide
Chemcryl JK-EB
Oxybisbenzene
NSC 19311
Barrel Therm 330
Identifiers:
SMILES:
c1ccc(Oc2ccccc2)cc1
InChI:
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
259 °C
CAS Common Chemistry
Melting Point
28 °C
CAS Common Chemistry
Density
1.08 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 | 170.21 g/mol | CAS Common Chemistry |
| 170.21099999999998 g/mol | RDKit | |
| 170.07316494 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyl_ether | CAS Common Chemistry |
| Boiling Point | 259 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=USIUVYZYUHIAEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | Diphenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.478900000000001 | RDKit |
| Molar Refractivity | 52.958000000000034 | RDKit |
