CAS No.: 375-85-9 — Perfluoroheptanoic acid (全氟庚酸)

1. Primary Information

English name:	Perfluoroheptanoic acid
CAS No.:	375-85-9
Molecular formula:	C₆F₁₃COOH
Molecular weight:	364.06 g/mol
SMILES:	C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structural class:
Other identifiers:	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid C7-PFA perfluoro-n-heptanoic acid perfluoro-n-heptanoic acid ammonium salt perfluoro-n-heptanoic acid sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	GC≥98%	432	RT	in stock	-
Kehua Intelligence	250mg	98%	28	RT	in stock	-
Kehua Intelligence	1g	98%	70	RT	in stock	-
Kehua Intelligence	5g	98%	268	RT	in stock	-
Kehua Intelligence	25g	98%	672	RT	in stock	-
Kehua Intelligence	100g	98%	2176	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 0 0 0 0 0 0999 V2000 -0.0926 -2.3914 -0.1835 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -1.1415 -1.5778 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 -0.8943 -1.7906 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 0.9460 -1.1431 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -0.7839 1.8879 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -1.5683 0.7535 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 0.3761 1.4937 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -1.4373 0.7746 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 1.6440 0.5772 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 1.0007 1.6913 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 1.8816 -0.2887 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 0.6682 1.0763 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 0.0631 -1.0062 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 0.4833 -0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 1.2184 -1.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 -1.1010 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 -0.2993 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.6660 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -0.1925 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 0.7281 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 0.6149 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8137 0.8512 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6363 0.5541 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 21 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid

4.2 InChI

InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)

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)

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)