CAS No.: 7012-37-5 — 2,4,4'-Trichlorobiphenyl (2,4,4′-三氯联苯)

1. Primary Information

English name:	2,4,4'-Trichlorobiphenyl
CAS No.:	7012-37-5
Molecular formula:	C₁₂H₇Cl₃
Molecular weight:	257.5 g/mol
SMILES:	C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
Structural class:
Other identifiers:	2,4,4'-TCB 2,4,4'-trichlorobiphenyl PCB 28 PCB-28

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	2μg/ml in isooctane	152	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in n-hexane	936	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	1192	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 -0.6619 2.5789 -0.0009 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 -0.3221 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2824 -0.1303 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -0.1581 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -0.1525 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 1.0239 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 -1.3906 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 -0.1501 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -0.1482 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 0.9735 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7263 -1.4410 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.1435 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -0.1416 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 -0.2589 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 -2.3236 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 -0.1526 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -0.1493 2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 1.8939 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -2.4083 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 -0.1413 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 -0.1380 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H

4.3 InChIKey

BZTYNSQSZHARAZ-UHFFFAOYSA-N

4.4 Canonical SMILES

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