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Molecule
4,4′-Oxydibenzoyl Chloride
CAS: 7158-32-9 · C14H8Cl2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7158-32-9
- Molecular Formula
- C14H8Cl2O3
- Molecular Mass
- 295.12 g/mol
Identifiers
CAS Registry Number
7158-32-9
SMILES
O=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1
InChI Key
OSUWBBMPVXVSOA-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Oxydibenzoyl Chloride Synonym
- Benzoyl chloride, 4,4′-oxybis- Synonym
- Benzoyl chloride, 4,4′-oxydi- Synonym
- 4,4′-Oxybis[benzoyl chloride] Synonym
- Oxydi-p-phenylenedicarbonyl chloride Synonym
- 4,4′-Oxydibenzoyl chloride Synonym
- Diphenyl oxide 4,4′-dicarbonyl chloride Synonym
- 4-(Chlorocarbonyl)phenyl ether Synonym
- 4,4′-Oxybisbenzoyl chloride Synonym
- p-(Chlorocarbonyl)phenyl oxide Synonym
- 4,4′-Di(chloroformyl)diphenyl oxide Synonym
- 4,4′-Bis(chlorocarbonyl)diphenyl ether Synonym
- Diphenyl ether 4,4′-dicarbonyl dichloride Synonym
- 4,4′-Diphenyl ether dicarboxylic acid dichloride Synonym
- 4,4′-Oxybisbenzoic acid dichloride Synonym
- 4,4′-Oxybisbenzoic dichloride Synonym
- 4,4′-Dicarboxydiphenyl ether dichloride Synonym
- Diphenyl ether-4,4′-dicarboxylic chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 295.12 g/mol | CAS Common Chemistry |
| 295.121 g/mol | RDKit | |
| 295.115 g/mol | chempirical lib | |
| 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 |
| 43.37 Ų | RDKit | |
| LogP | 4.236900000000002 | RDKit |
| 4.2369 | RDKit | |
| Molar Refractivity | 73.32500000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 293.985049476 g/mol | RDKit |
| Boiling Point | 186-187 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 295.12 g/mol. Edit any field — others recompute live.
