CAS No.: 375-95-1 — Perfluorononanoic acid (全氟壬酸)

1. Primary Information

English name:	Perfluorononanoic acid
CAS No.:	375-95-1
Molecular formula:	C₈F₁₇COOH
Molecular weight:	464.08 g/mol
SMILES:	C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structural class:
Other identifiers:	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid C9-PFA heptadecafluorononanoic acid perfluoro-n-nonanoic acid perfluoro-n-nonanoic acid, ammonium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	97%	264	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 0.8732 -1.6120 -0.9120 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -1.6983 0.6124 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.7803 -1.8066 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 0.8134 -1.7543 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3086 0.5052 1.8396 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -1.1479 1.6143 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 1.6689 -1.2684 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 1.8925 0.4533 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 1.3090 1.4929 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 1.8827 -0.1648 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.2233 1.6957 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 1.3893 1.0944 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9643 1.3355 -0.9243 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -0.0940 -1.7279 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -1.6794 -0.5286 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 -0.0804 -1.0667 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 -1.1055 0.8474 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -0.3703 0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 -2.0230 -0.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1274 -0.8286 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 0.0432 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -0.1578 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 0.9644 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 0.8114 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.3600 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 0.2892 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 -0.6264 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -0.8375 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6255 -1.0966 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 27 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

4.2 InChI

InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

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)