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Benzophenone 7
CAS: 85-19-8 | C13H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85-19-8
Molecular Formula:
C13H9ClO2
Molecular Mass:
232.67 g/mol
Names and Synonyms:
Benzophenone 7
Methanone, (5-chloro-2-hydroxyphenyl)phenyl-
Benzophenone, 5-chloro-2-hydroxy-
(5-Chloro-2-hydroxyphenyl)phenylmethanone
2-Hydroxy-5-chlorobenzophenone
3-Chloro-6-hydroxybenzophenone
5-Chloro-2-hydroxybenzophenone
DOW HCB
UV Absorber NL/5
2-Benzoyl-4-chlorophenol
Ch 11
Benzophenone 7
NSC 33407
(2-Hydroxy-5-chlorophenyl)phenylmethanone
Identifiers:
SMILES:
O=C(c1ccccc1)c1cc(Cl)ccc1O
InChI:
InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
Key Properties
Boiling Point
147-149 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
93-95 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.67 g/mol | CAS Common Chemistry |
| 232.666 g/mol | RDKit | |
| 232.029107208 g/mol | RDKit | |
| Boiling Point | 147-149 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=OMWSZDODENFLSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-95 °C | CAS Common Chemistry |
| Name | Benzophenone 7 | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.2766000000000015 | RDKit |
| Molar Refractivity | 62.991300000000024 | RDKit |
