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2,2′,4,4′-Tetrahydroxybenzophenone
CAS: 131-55-5 | C13H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131-55-5
Molecular Formula:
C13H10O5
Molecular Mass:
246.22 g/mol
Names and Synonyms:
2,2′,4,4′-Tetrahydroxybenzophenone
Methanone, bis(2,4-dihydroxyphenyl)-
Benzophenone, 2,2′,4,4′-tetrahydroxy-
Bis(2,4-dihydroxyphenyl)methanone
Uvinul D 50
2,2′,4,4′-Tetrahydroxybenzophenone
2,4,2′,4′-Tetrahydroxybenzophenone
Benzophenone 2
T 0118
Sumisorb 150
Seesorb 106
Uvinul 3050
NSC 38556
2,2′,4,4′-Tetrahydroxy diphenyl ketone
Dainsorb P 6
SUV 1
BP 2
Eversorb 51
Identifiers:
SMILES:
O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChI:
InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
Key Properties
Boiling Point
354 °C
CAS Common Chemistry
Melting Point
196-198 °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 | 246.22 g/mol | CAS Common Chemistry |
| 246.218 g/mol | RDKit | |
| 246.05282342 g/mol | RDKit | |
| Boiling Point | 354 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(O)C=C1O)C2=CC=C(O)C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H | CAS Common Chemistry |
| InChI Key | InChIKey=WXNRYSGJLQFHBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C | CAS Common Chemistry |
| Name | 2,2′,4,4′-Tetrahydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| LogP | 1.7399999999999998 | RDKit |
| Molar Refractivity | 62.975700000000025 | RDKit |
