Back to Search
Molecule
4,4′-Biphenyldicarbonyl Chloride
CAS: 2351-37-3 · C14H8Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2351-37-3
- Molecular Formula
- C14H8Cl2O2
- Molecular Mass
- 279.12 g/mol
Identifiers
CAS Registry Number
2351-37-3
SMILES
O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChI Key
QDBOAKPEXMMQFO-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H
Names and Synonyms
- 4,4′-Biphenyldicarbonyl Chloride Systematic Name
- [1,1′-Biphenyl]-4,4′-dicarbonyl dichloride Synonym
- 4,4′-Biphenyldicarbonyl chloride Synonym
- p-Biphenylenedicarbonyl chloride Synonym
- 4,4′-Bis(chloroformyl)biphenyl Synonym
- Diphenyl-4,4′-dicarboxylic acid chloride Synonym
- 4,4′-Bibenzoyl chloride Synonym
- p,p′-Bis(chlorocarbonyl)biphenyl Synonym
- 4,4′-Biphenyldicarbonyl dichloride Synonym
- 4,4′-Biphenyldicarboxyl chloride Synonym
- 4,4′-Bis(chlorocarbonyl)-1,1′-biphenyl Synonym
- 4,4′-Biphenyldicarboxylic dichloride Synonym
- 4,4′-Dibenzoyl chloride Synonym
- 4BPAC Synonym
- 4,4′-Diphenyldicarboxylic acid dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.12 g/mol | CAS Common Chemistry |
| 279.122 g/mol | RDKit | |
| 279.116 g/mol | chempirical lib | |
| Canonical SMILES | O=C(Cl)C=1C=CC(=CC1)C2=CC=C(C=C2)C(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=QDBOAKPEXMMQFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181-182 °C | CAS Common Chemistry |
| Name | 4,4′-Biphenyldicarbonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 4.111600000000002 | RDKit |
| 4.1116 | RDKit | |
| Molar Refractivity | 72.24500000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 277.990134856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 279.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H8Cl2O2.
