CAS No.: 70362-50-4 — 3,4,4',5-Tetrachlorobiphenyl (3,4,4',5-四氯联苯)

1. Primary Information

English name:	3,4,4',5-Tetrachlorobiphenyl
CAS No.:	70362-50-4
Molecular formula:	C₁₂H₆Cl₄
Molecular weight:	292.0 g/mol
SMILES:	C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	98%	1120	RT	in stock	-
Kehua Intelligence	1ml	200μg/ml in isooctane	624	RT	in stock	-
Kehua Intelligence	1ml	500μg/ml in n-hexane	1248	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 -3.1614 -2.7288 -0.2878 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 2.7303 0.2856 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 0.0019 0.0016 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 0.0012 0.0004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -0.0009 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.0010 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 1.2006 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -1.2019 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 1.1023 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -1.1037 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 -1.2013 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 1.2013 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 0.0004 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.1029 -0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -1.1032 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 0.0000 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.1477 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4517 -2.1494 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 1.9699 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 -1.9715 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 1.9665 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.9662 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 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 12 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,3-trichloro-5-(4-chlorophenyl)benzene

4.2 InChI

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

4.3 InChIKey

BHWVLZJTVIYLIV-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2=CC(=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)