CAS No.: 15086-94-9 — 2',4',5',7'-Tetrabromofluorescein (曙红Y(醇溶))

1. Primary Information

English name:	2',4',5',7'-Tetrabromofluorescein
CAS No.:	15086-94-9
Molecular formula:	C₂₀H₈BR₄O₅
Molecular weight:	647.9 g/mol
SMILES:	C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	BS	48	RT	in stock	-
Kehua Intelligence	100g	BS	152	RT	in stock	-
Kehua Intelligence	500g	BS	600	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 2.2199 -4.1359 -0.7277 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -4.1368 -0.7245 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 0.3798 0.8546 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 0.3811 0.8511 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 1.3801 1.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -2.1637 -0.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 3.5731 2.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7128 -2.5128 -0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7136 -2.5116 -0.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6630 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 1.7921 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2587 -0.1791 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -0.1788 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 2.9989 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -1.5241 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 -1.5239 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 2.7439 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 1.7697 -2.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.3624 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 0.3631 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 4.2199 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 -2.3056 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 -2.3055 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 -0.4193 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 -0.4187 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 2.9887 -2.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -1.7529 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -1.7526 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 4.2056 -1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 1.4066 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 1.4075 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.8333 -2.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 5.1568 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 2.9965 -3.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 5.1427 -2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 -3.4093 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4796 -1.9584 0.2083 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 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 27 1 0 0 0 0 8 36 1 0 0 0 0 9 28 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 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 16 1 0 0 0 0 13 20 2 0 0 0 0 14 17 1 0 0 0 0 14 21 2 0 0 0 0 15 22 2 0 0 0 0 16 23 2 0 0 0 0 18 26 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 20 31 1 0 0 0 0 21 29 1 0 0 0 0 21 33 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 27 2 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 34 1 0 0 0 0 29 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

4.2 InChI

InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H

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)