CAS No.: 956-48-9 — 2,6-Dichloroindophenol (2,6-二氯靛酚)

1. Primary Information

English name:	2,6-Dichloroindophenol
CAS No.:	956-48-9
Molecular formula:	C₁₂H₇Cl₂NO₂
Molecular weight:	268.09 g/mol
SMILES:	C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)O)Cl
Structural class:
Other identifiers:	2,6 Dichlorobenzenoneindophenol Dye 2,6 Dichloroindophenol 2,6 Dichlorophenolindophenol 2,6-Dichlorobenzenoneindophenol Dye 2,6-Dichloroindophenol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	高纯，97%	240	RT	in stock	-
Kehua Intelligence	5g	高纯，97%	640	RT	in stock	-
Kehua Intelligence	25g	高纯，97%	1600	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 25 0 0 0 0 0 0 0999 V2000 3.2283 -2.7187 -0.4403 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 2.7192 -0.4369 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 0.0007 -1.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 0.0011 -1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 -0.0010 1.6348 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 -0.0005 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -0.0006 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 1.2076 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 -1.2083 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 -1.2080 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 1.2080 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 0.0003 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -0.0010 1.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4773 0.0008 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 -0.0008 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 0.0012 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 0.0002 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 2.1461 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 -2.1471 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -0.0018 2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 0.0014 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 -0.0012 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 0.0021 -2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -0.9221 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(3,5-dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one

4.2 InChI

InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,17H

4.3 InChIKey

FBWADIKARMIWNM-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)O)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)