CAS No.: 80-09-1 — 4,4'-Sulfonyldiphenol (4,4-二羟基二苯砜)

1. Primary Information

English name:	4,4'-Sulfonyldiphenol
CAS No.:	80-09-1
Molecular formula:	C₁₂H₁₀O₄S
Molecular weight:	250.27 g/mol
SMILES:	C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
Structural class:
Other identifiers:	bis(4-hydroxyphenyl)sulfone bisphenol S

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	201	RT,避光	in stock	-
Kehua Intelligence	100g	CP，98%	32	RT,避光	in stock	-
Kehua Intelligence	500g	CP，98%	128	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 -0.0023 1.6164 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 2.3472 -1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 2.3462 1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 -1.8261 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 -1.8338 -0.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 0.5969 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 0.5793 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 0.1899 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 0.1869 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 0.1896 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 0.1862 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 -0.6246 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -0.6294 -1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 -0.6249 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 -0.6301 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 -1.0319 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -1.0377 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 0.4903 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 0.4890 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 0.4868 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 0.4842 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 -0.9397 2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -0.9415 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 -0.9369 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -0.9469 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 -2.0101 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -2.0178 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 5 17 1 0 0 0 0 5 27 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(4-hydroxyphenyl)sulfonylphenol

4.2 InChI

InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

4.3 InChIKey

VPWNQTHUCYMVMZ-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

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)