CAS No.: 376-06-7 — Perfluorotetradecanoic acid (全氟十四酸)

1. Primary Information

English name:	Perfluorotetradecanoic acid
CAS No.:	376-06-7
Molecular formula:	C₁₃F₂₇COOH
Molecular weight:	714.11 g/mol
SMILES:	C(=O)(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O
Structural class:
Other identifiers:	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoate 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid heptacosafluorotetradecanoate heptacosafluorotetradecanoic acid methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	Purity≥96%	467	2-8℃	in stock	-
Kehua Intelligence	1g	95%	240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 44 43 0 0 0 0 0 0 0999 V2000 -1.0853 1.6620 -1.0740 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 0.2373 -1.9027 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 1.9491 -0.0729 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 1.3275 1.4253 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -1.7463 -0.4054 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -0.7557 -1.6351 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.2297 1.2623 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 0.2665 1.7823 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 -0.3664 1.8095 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 -1.6346 0.8336 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.7906 0.2907 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -1.3693 -1.2613 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 0.6876 1.8444 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 1.8391 0.6804 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 -0.5398 -1.9178 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 1.0845 -1.6429 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 0.9785 -1.6392 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9006 1.9667 -0.2895 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 1.6534 0.8157 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 1.7077 -0.8014 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9748 0.0241 -1.7689 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 -1.4585 -1.0280 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 -0.7379 1.6480 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 0.7689 1.5316 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9052 0.4710 0.7781 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 -1.6234 0.1695 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -0.9410 1.5635 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5227 -0.3793 -0.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9916 -2.0582 -0.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 0.5551 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 0.8962 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 -0.6096 -0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -0.2023 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 -0.4898 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -0.7748 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 0.6901 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 0.1495 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 0.8061 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 0.8689 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2131 -0.3128 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 -0.0325 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -0.5996 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 -0.9376 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0783 -0.9778 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 32 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 42 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 43 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid

4.2 InChI

InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)

4.3 InChIKey

RUDINRUXCKIXAJ-UHFFFAOYSA-N

4.4 Canonical SMILES

C(=O)(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O

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)