CAS No.: 32598-10-0 — 2,3',4,4'-Tetrachlorobiphenyl (2,3',4,4'-四氯联苯)

1. Primary Information

English name:	2,3',4,4'-Tetrachlorobiphenyl
CAS No.:	32598-10-0
Molecular formula:	C₁₂H₆Cl₄
Molecular weight:	292.0 g/mol
SMILES:	C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	2,3',4,4'-TCB 2,3',4,4'-tetrachlorobiphenyl

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	98%	1120	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in n-hexane	1560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 23 0 0 0 0 0 0 0999 V2000 0.9123 2.4784 -0.7350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 -0.8485 -2.1464 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 0.0996 0.6113 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.3940 -0.1180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 -0.0674 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 -0.1138 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 -0.4307 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.3411 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6616 0.9852 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -1.2994 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 -0.3857 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 0.3862 1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 0.8987 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -1.3857 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 0.0227 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -0.2867 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -0.7491 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 0.6281 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -2.1676 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 0.7071 2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 1.7543 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -2.3158 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2-dichloro-4-(2,4-dichlorophenyl)benzene

4.2 InChI

InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H

4.3 InChIKey

RKLLTEAEZIJBAU-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)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)