CAS No.: 83-72-7 — 2-Hydroxy-1,4-naphthoquinone (散沫花素（2-羟基-1,4-萘醌）)

1. Primary Information

English name:	2-Hydroxy-1,4-naphthoquinone
CAS No.:	83-72-7
Molecular formula:	C₁₀H₆O₃
Molecular weight:	174.15 g/mol
SMILES:	C1=CC=C2C(=C1)C(=CC(=O)C2=O)O
Structural class:
Other identifiers:	2-hydroxy-1,4-naphthoquinone 2-hydroxynaphthoquinone henna dye lawsone lawsone, sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	496	Buy now	RT	in stock	-
Kehua Intelligence	5g	98%	64	Buy now	RT	in stock	-
Kehua Intelligence	25g	98%	280	Buy now	RT	in stock	-
Kehua Intelligence	100g	98%	960	Buy now	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-hydroxynaphthalene-1,2-dione

4.2 InChI

InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H

4.3 InChIKey

WVCHIGAIXREVNS-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CC(=O)C2=O)O

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.59808 1.5 0 0
M  V30 2 C 2.59808 0.5 0 0
M  V30 3 C 1.73205 5.55112e-16 0 0
M  V30 4 C 0.866025 0.5 0 0
M  V30 5 C 0.866025 1.5 0 0
M  V30 6 C 1.73205 2 0 0
M  V30 7 C 4.44089e-16 2 0 0
M  V30 8 C -0.866025 1.5 0 0
M  V30 9 C -0.866025 0.5 0 0
M  V30 10 O -1.73205 -1.11022e-16 0 0
M  V30 11 C 0 -0 0 0
M  V30 12 O -7.21645e-16 -1 0 0
M  V30 13 O 8.88178e-16 3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 11
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 5 7
M  V30 9 2 7 8
M  V30 10 1 7 13
M  V30 11 1 8 9
M  V30 12 2 9 10
M  V30 13 1 9 11
M  V30 14 2 11 12
M  V30 END BOND
M  V30 END CTAB
M  END

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)