CAS No.: 148-25-4 — 4,5-Dihydroxynaphthalene-2,7-disulfonic acid (变色酸)

1. Primary Information

English name:	4,5-Dihydroxynaphthalene-2,7-disulfonic acid
CAS No.:	148-25-4
Molecular formula:	C₁₀H₈O₈S₂
Molecular weight:	320.3 g/mol
SMILES:	C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O
Structural class:
Other identifiers:	4,5-DHN-2,7-DSA 4,5-dihydroxynaphthalene-2,7-disulfonic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	98%	104	RT,避光	in stock	-
Kehua Intelligence	100g	98%	320	RT,避光	in stock	-
Kehua Intelligence	500g	98%	1280	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 -3.9441 -1.1517 0.0846 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.1515 -0.0850 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 3.1745 -0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 3.1749 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3491 -1.3657 -1.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 -1.3656 1.4841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6891 -2.4723 0.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9303 -0.2698 0.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.4723 -0.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -0.2692 -0.6902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.2908 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.1245 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -0.9777 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.9774 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 -0.2787 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 -0.2792 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2248 1.8111 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 1.8114 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 1.1130 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 1.1124 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 -2.0659 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -2.0656 0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 1.6706 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.6604 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 3.4485 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 3.5738 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7121 -1.8981 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -1.8981 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4,5-dihydroxynaphthalene-2,7-disulfonic acid

4.2 InChI

InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

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)