Back to Search
Molecule
2,5-Dichlorobenzophenone
CAS: 16611-67-9 · C13H8Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16611-67-9
- Molecular Formula
- C13H8Cl2O
- Molecular Mass
- 251.11 g/mol
Identifiers
CAS Registry Number
16611-67-9
SMILES
O=C(c1ccccc1)c1cc(Cl)ccc1Cl
InChI Key
FAVKIHMGRWRACA-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
Names and Synonyms
- 2,5-Dichlorobenzophenone Systematic Name
- Methanone, (2,5-dichlorophenyl)phenyl- Synonym
- Benzophenone, 2,5-dichloro- Synonym
- (2,5-Dichlorophenyl)phenylmethanone Synonym
- 2,5-Dichlorobenzophenone Synonym
- Benzoyl-2,5-dichlorobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.11 g/mol | CAS Common Chemistry |
| 251.112 g/mol | RDKit | |
| 251.106 g/mol | chempirical lib | |
| Boiling Point | 240-260 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=FAVKIHMGRWRACA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | 2,5-Dichlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 4.224400000000002 | RDKit |
| 4.2244 | RDKit | |
| Molar Refractivity | 66.33650000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.995220236 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 = 251.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H8Cl2O.
