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Molecule
4-Chlorobenzophenone
CAS: 134-85-0 · C13H9ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 134-85-0
- Molecular Formula
- C13H9ClO
- Molecular Mass
- 216.67 g/mol
Identifiers
CAS Registry Number
134-85-0
SMILES
O=C(c1ccccc1)c1ccc(Cl)cc1
InChI Key
UGVRJVHOJNYEHR-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
Names and Synonyms
- 4-Chlorobenzophenone Synonym
- Methanone, (4-chlorophenyl)phenyl- Synonym
- Benzophenone, 4-chloro- Synonym
- Benzophenone, p-chloro- Synonym
- (4-Chlorophenyl)phenylmethanone Synonym
- p-Chlorobenzophenone Synonym
- 4-Chlorobenzophenone Synonym
- p-CBP Synonym
- p-Chlorophenyl phenyl ketone Synonym
- CBP Synonym
- 4-Chlorophenyl phenyl ketone Synonym
- NSC 2872 Synonym
- Initiator 1046 Synonym
- Phenyl 4-chlorophenyl ketone Synonym
- 4-Benzoylphenyl chloride Synonym
- 4-CBP Synonym
- 1-(4′-Chlorophenyl)-phenylmethanone Synonym
- 1-p-Chlorophenyl-1-phenylmethanone Synonym
- Photoinitiator CBP Synonym
- JRcure 1046 Synonym
- CBZ Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.67 g/mol | CAS Common Chemistry |
| 216.667 g/mol | RDKit | |
| 216.664 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=UGVRJVHOJNYEHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78 °C | CAS Common Chemistry |
| Name | 4-Chlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.5710000000000024 | RDKit |
| 3.571 | RDKit | |
| Molar Refractivity | 61.326500000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.034192588 g/mol | RDKit |
| Boiling Point | 332 °C @ 771 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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.
External Resources
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MW = 216.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9ClO.
