CAS No.: 80-07-9 — 4,4'-Dichlorodiphenyl sulfone (4,4'-二氯二苯基砜)

1. Primary Information

English name:	4,4'-Dichlorodiphenyl sulfone
CAS No.:	80-07-9
Molecular formula:	C₁₂H₈Cl₂O₂S
Molecular weight:	287.2 g/mol
SMILES:	C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	4,4'-dichlorodiphenyl sulfone 4,4-dichlorophenylsulfone bis(4-chlorophenyl) sulfone bis(para-chlorophenyl)sulfone p,p'-dichlorodiphenylsulfone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	96	2-8℃	in stock	-
Kehua Intelligence	25g	98%	19	2-8℃	in stock	-
Kehua Intelligence	100g	98%	51	2-8℃	in stock	-
Kehua Intelligence	500g	98%	166	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 0 0 0 0 0 0999 V2000 -5.0684 2.0230 -0.0043 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 2.0149 0.0041 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -1.6419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -2.3729 -1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 -2.3721 1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 -0.6049 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -0.6229 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -0.2127 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -0.2158 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -0.2115 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 -0.2148 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 0.6045 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 0.5996 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 0.6057 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 0.6006 -1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6746 1.0136 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 1.0077 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -0.5152 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 -0.5167 2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 -0.5094 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 -0.5119 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 0.9164 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 0.9107 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 0.9189 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 0.9127 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 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

1-chloro-4-(4-chlorophenyl)sulfonylbenzene

4.2 InChI

InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

4.3 InChIKey

GPAPPPVRLPGFEQ-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)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)