CAS No.: 81-64-1 — Quinizarin (1,4-二羟基蒽醌)

1. Primary Information

English name:	Quinizarin
CAS No.:	81-64-1
Molecular formula:	C₁₄H₈O₄
Molecular weight:	240.21 g/mol
SMILES:	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Structural class:
Other identifiers:	1,4-dihydroxy-9,10-anthraquinone 1,4-dihydroxyanthraquinone 1,4-dihydroxyanthraquinone, radiacal ion (1-) anthrarufin quinizarin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥96%	480	2-8℃	in stock	-
Kehua Intelligence	25g	≥96%(HPLC)	24	2-8℃	in stock	-
Kehua Intelligence	100g	≥96%(HPLC)	60	2-8℃	in stock	-
Kehua Intelligence	500g	≥96%(HPLC)	216	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 28 0 0 0 0 0 0 0999 V2000 2.2748 -2.7581 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 2.7582 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3077 -2.6718 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 2.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -0.6982 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.6983 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -0.6983 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 0.6982 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 1.4475 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 -1.3964 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 1.3965 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 -1.3965 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 1.3964 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.6967 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 0.6967 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9745 -0.6968 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 0.6967 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 -2.4828 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 2.4827 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 -1.2231 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 1.2320 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 -1.2392 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 1.2390 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -3.0372 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 3.1475 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,4-dihydroxyanthracene-9,10-dione

4.2 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

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)