Back to Search
1,4-Dihydroxyanthraquinone
CAS: 81-64-1 | C14H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-64-1
Molecular Formula:
C14H8O4
Molecular Mass:
240.21 g/mol
Names and Synonyms:
1,4-Dihydroxyanthraquinone
9,10-Anthracenedione, 1,4-dihydroxy-
Anthraquinone, 1,4-dihydroxy-
1,4-Dihydroxy-9,10-anthracenedione
C.I. 58050
Chinizarin
Quinizarin
Quinizarine
Smoke Orange R
1,4-Dihydroxyanthraquinone
1,4-Dihydroxy-9,10-anthraquinone
NSC 15367
DAQ
Solvent Orange 86
C.I. Solvent Orange 86
Macrolex Orange GG
C.I. Solvent Orange 100
Solvent Orange 100
Smoke Orange 18
NSC 229036
NSC 40899
NSC 646569
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
InChI:
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
Key Properties
Melting Point
196 °C
CAS Common Chemistry
Density
1.52 g/cm³
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 | 240.21 g/mol | CAS Common Chemistry |
| 240.21399999999997 g/mol | RDKit | |
| 240.042258736 g/mol | RDKit | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,4-Dihydroxyanthraquinone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(O)=CC=C(O)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H | CAS Common Chemistry |
| InChI Key | InChIKey=GUEIZVNYDFNHJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | Quinizarin | CAS Common Chemistry |
| 1,4-Dihydroxyanthraquinone | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | 1.8732000000000002 | RDKit |
| Molar Refractivity | 63.07860000000002 | RDKit |
