CAS No.: 335-76-2 — Perfluorodecanoic acid (十九氟癸酸)

1. Primary Information

English name:	Perfluorodecanoic acid
CAS No.:	335-76-2
Molecular formula:	C₁₀HF₁₉O₂
Molecular weight:	514.08 g/mol
SMILES:	C(=O)(C(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)(F)F)O
Structural class:
Other identifiers:	ammonium nonadecafluorodecanoate ammonium perfluorodecanoate azanium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate Decanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-, ammonium salt Decanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-, sodium salt (1:1)

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	98%	240	2-8℃	in stock	-
Kehua Intelligence	1g	98%	400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 31 0 0 0 0 0 0 0999 V2000 -0.7798 0.5481 1.3103 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -1.4563 1.9943 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -2.1322 -0.4929 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -0.1508 -1.2505 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -2.5939 0.1937 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8665 -1.1710 1.5146 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 -0.9759 1.5004 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 1.0011 0.7508 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -1.3108 -0.9726 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -0.8604 -1.8609 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 0.2572 -1.7762 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 -1.6985 -0.9808 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 1.5859 -0.6630 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 1.1738 -1.9141 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -0.0464 -1.1931 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 -0.6375 0.8511 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 0.7135 0.2793 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 2.6478 0.2971 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4646 1.0533 1.6016 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 1.8030 1.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 2.4918 -0.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -0.7372 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 -0.8332 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 -1.2579 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -0.2948 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 -0.6269 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 -0.3902 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 0.8570 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 0.1355 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9615 1.3125 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 1.5934 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 2.7537 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 30 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 31 2 0 0 0 0 22 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 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid

4.2 InChI

InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)

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)