CAS No.: 90-98-2 — 4,4'-Dichlorobenzophenone (4,4'-二氯二苯甲酮)

1. Primary Information

English name:	4,4'-Dichlorobenzophenone
CAS No.:	90-98-2
Molecular formula:	C₁₃H₈Cl₂O
Molecular weight:	251.10 g/mol
SMILES:	C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	4,4'-dichlorobenzophenone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	GC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	312	2-8℃	in stock	-
Kehua Intelligence	25g	99%	40	2-8℃	in stock	-
Kehua Intelligence	100g	99%	124	2-8℃	in stock	-
Kehua Intelligence	500g	99%	560	2-8℃	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 -5.2542 1.4554 0.0004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 1.6642 0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -2.5510 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 -0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2909 -0.5858 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 -1.3111 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 -0.3122 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.8089 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -0.3127 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -1.2849 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 0.3343 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 1.5048 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 0.3336 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 -0.5892 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 0.6571 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 0.8059 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3978 -0.5623 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 1.3926 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -0.5634 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 -2.3714 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 0.5803 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 2.5918 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 0.5791 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 -1.1468 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 6 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 13 2 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 15 1 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

4. International Nomenclature & Identifiers

4.1 IUPAC Name

bis(4-chlorophenyl)methanone

4.2 InChI

InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

4.3 InChIKey

OKISUZLXOYGIFP-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C(=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)