CAS No.: 38380-08-4 — 2,3,3',4,4',5-Hexachlorobiphenyl (2,3,3',4,4',5-六氯联苯)

1. Primary Information

English name:	2,3,3',4,4',5-Hexachlorobiphenyl
CAS No.:	38380-08-4
Molecular formula:	C₁₂H₄Cl₆
Molecular weight:	360.9 g/mol
SMILES:	C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	2,3,3',4,4',5-hexachlorobiphenyl PCB 156 PCB-156

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	98%	1040	RT	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 0.3985 2.6073 0.0672 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 2.5045 -0.1480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -2.9520 -0.0165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 -0.2850 -0.1932 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 -0.1706 -2.3123 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -0.1193 0.5950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -0.1020 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 -0.1065 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 1.0793 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -1.3345 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7316 -0.1327 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 -0.0846 1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 1.0280 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 -1.3859 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -0.2046 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -0.1371 -0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -0.0889 1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 -0.1153 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -2.2583 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 -0.1496 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -0.0637 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 -0.0714 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 17 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene

4.2 InChI

InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H

4.3 InChIKey

LCXMEXLGMKFLQO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)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)