CAS No.: 547-91-1 — Chiniofon (8-羟基-7-碘-5-喹啉磺酸)

1. Primary Information

English name:	Chiniofon
CAS No.:	547-91-1
Molecular formula:	C₉H₆INO₄S
Molecular weight:	351.12 g/mol
SMILES:	C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1
Structural class:
Other identifiers:	7-iodo-8-hydroxyquinoline-5-sulfonic acid 8-hydroxy-7-iodo-5-quinolinesulfonic acid ferron iodoquinoleine Chiniofon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	128	2-8℃	in stock	-
Kehua Intelligence	5g	BR，98.5%	112	2-8℃	in stock	-
Kehua Intelligence	25g	BR，98.5%	448	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 23 0 0 0 0 0 0 0999 V2000 -1.9251 -3.7831 -0.0024 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 -0.3977 -0.0801 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 0.1532 1.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 -0.8379 0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1062 -1.7596 -0.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.6093 -1.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 1.6416 0.0255 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.6799 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 -0.4691 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 0.5614 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -1.7361 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 -0.7176 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 1.9673 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.8601 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 3.0822 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5849 2.8664 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -2.6332 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 2.1693 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 4.0852 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 3.6998 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -0.4208 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 -1.7843 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

8-hydroxy-7-iodoquinoline-5-sulfonic acid

4.2 InChI

InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)

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)