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4,4′-Oxydibenzoyl Chloride
CAS: 7158-32-9 | C14H8Cl2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7158-32-9
Molecular Formula:
C14H8Cl2O3
Molecular Mass:
295.12 g/mol
Names and Synonyms:
4,4′-Oxydibenzoyl Chloride
Benzoyl chloride, 4,4′-oxybis-
Benzoyl chloride, 4,4′-oxydi-
4,4′-Oxybis[benzoyl chloride]
Oxydi-p-phenylenedicarbonyl chloride
4,4′-Oxydibenzoyl chloride
Diphenyl oxide 4,4′-dicarbonyl chloride
4-(Chlorocarbonyl)phenyl ether
4,4′-Oxybisbenzoyl chloride
p-(Chlorocarbonyl)phenyl oxide
4,4′-Di(chloroformyl)diphenyl oxide
4,4′-Bis(chlorocarbonyl)diphenyl ether
Diphenyl ether 4,4′-dicarbonyl dichloride
4,4′-Diphenyl ether dicarboxylic acid dichloride
4,4′-Oxybisbenzoic acid dichloride
4,4′-Oxybisbenzoic dichloride
4,4′-Dicarboxydiphenyl ether dichloride
Diphenyl ether-4,4′-dicarboxylic chloride
Identifiers:
SMILES:
O=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1
InChI:
InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H
Key Properties
Boiling Point
186-187 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
22-23 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 | 295.12 g/mol | CAS Common Chemistry |
| 295.121 g/mol | RDKit | |
| 293.985049476 g/mol | RDKit | |
| Boiling Point | 186-187 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C1=CC=C(OC2=CC=C(C=C2)C(=O)Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=OSUWBBMPVXVSOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22-23 °C | CAS Common Chemistry |
| Name | 4,4′-Oxydibenzoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 4.236900000000002 | RDKit |
| Molar Refractivity | 73.32500000000002 | RDKit |
