CAS No.: 434-90-2 — Decafluorobiphenyl (十氟联苯)

1. Primary Information

English name:	Decafluorobiphenyl
CAS No.:	434-90-2
Molecular formula:	C₁₂F₁₀
Molecular weight:	334.11 g/mol
SMILES:	C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in acetone	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	5000μg/ml in acetonitrile	520	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥99%	400	2-8℃	in stock	-
Kehua Intelligence	1g	99%	36	2-8℃	in stock	-
Kehua Intelligence	5g	99%	65	2-8℃	in stock	-
Kehua Intelligence	25g	99%	238	2-8℃	in stock	-
Kehua Intelligence	100g	99%	864	2-8℃	in stock	-
Kehua Intelligence	500g	99%	3440	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 -0.7654 1.7020 -1.6609 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 1.6600 1.7028 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -1.7022 1.6605 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -1.6603 -1.7024 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4857 -1.6953 1.6531 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 -1.6537 -1.6949 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4859 1.6954 -1.6531 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 1.6537 1.6948 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8527 -0.0003 -0.0001 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -0.0003 0.0001 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.8649 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 0.8435 0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -0.8647 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 -0.8434 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -0.8647 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -0.8434 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 0.8649 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 0.8435 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5133 0.0000 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 0.0000 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

4.2 InChI

InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

4.3 InChIKey

ONUFSRWQCKNVSL-UHFFFAOYSA-N

4.4 Canonical SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

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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)