CAS No.: 76-54-0 — 2',7'-Dichlorofluorescein (2′,7′-二氯荧光素)

1. Primary Information

English name:	2',7'-Dichlorofluorescein
CAS No.:	76-54-0
Molecular formula:	C₂₀H₁₀Cl₂O₅
Molecular weight:	401.2 g/mol
SMILES:	C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
Structural class:
Other identifiers:	2',7'-dichlorofluorescein 2',7'-dichlorofluorescein, disodium salt 2',7'-dichlorofluorescin dichlorofluorescin monohlorofluorescein

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	高纯，95%	48	RT	in stock	-
Kehua Intelligence	5g	高纯，95%	144	RT	in stock	-
Kehua Intelligence	25g	高纯，95%	560	RT	in stock	-
Kehua Intelligence	100g	高纯，95%	2080	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 41 0 0 0 0 0 0 0999 V2000 5.2078 -0.0572 0.7640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -0.0549 0.7620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 0.9658 1.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -2.4245 -0.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 3.1003 2.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 -2.8254 -0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 -2.8243 -0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.3420 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 1.5384 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 -0.4931 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.4925 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 2.6937 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 -1.8074 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -1.8071 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.3366 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 1.6155 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 0.0269 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 0.0281 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 3.9581 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -2.5792 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 -2.5788 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 -0.7456 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 -0.7443 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 2.8804 -2.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.0482 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 -2.0473 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 4.0439 -1.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.7209 -2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 1.0471 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 1.0485 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 4.8535 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -3.5972 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -3.5978 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 2.9662 -3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 5.0180 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -3.6956 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 -2.3059 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 25 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 27 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 0 0 0 0 21 26 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 27 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

4.2 InChI

InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H

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)