CAS No.: 975-17-7 — Fluorone black (苯芴酮)

1. Primary Information

English name:	Fluorone black
CAS No.:	975-17-7
Molecular formula:	C₁₉H₁₂O₅
Molecular weight:	320.3 g/mol
SMILES:	C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O
Structural class:
Other identifiers:	fluorone Black m-nitrophenylfluorone phenylfluorone trimethoxyphenlyfluorone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	AR	132	RT	in stock	-
Kehua Intelligence	5g	AR	536	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 39 0 0 0 0 0 0 0999 V2000 -0.2571 2.4337 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 -0.5826 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 2.1936 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 0.1356 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 0.2420 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 1.6342 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.8518 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -1.8732 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -0.4902 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -0.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6036 2.2888 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 2.6577 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 0.1590 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7819 1.5488 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 0.6321 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 -2.5534 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -2.5531 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 2.1098 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -3.9394 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -3.9391 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5239 -4.6322 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -1.5777 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6728 -1.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 3.3753 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 3.7377 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.0263 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.0260 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -4.4791 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -4.4787 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 -5.7115 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6325 -1.5268 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6879 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 0.8941 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 34 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 22 24 2 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,6,7-trihydroxy-9-phenylxanthen-3-one

4.2 InChI

InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H

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)