CAS No.: 27854-31-5 — Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro- (2H，2H-全氟癸酸 )

1. Primary Information

English name:	Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
CAS No.:	27854-31-5
Molecular formula:	C₈F₁₇CH₂COOH
Molecular weight:	478.10 g/mol
SMILES:	C(C(=O)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
Structural class:
Other identifiers:	2-(perfluorodecyl)ethanoic acid 2-perfluorodecylethanoic acid 2-perfluorooctyl ethanoic acid 2H,2H-perfluorododecanoic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	-	7760	-20°C	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 0.8837 1.3108 -1.2003 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 1.6782 0.1134 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -0.3032 1.8279 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.3667 1.5130 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -1.2418 -1.5414 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 0.1862 -2.0659 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 -1.8700 0.1520 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -1.0392 1.7788 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -2.1370 -1.1195 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -1.9464 0.7182 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 0.4114 1.2967 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 -1.3446 1.0544 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -0.1766 -1.6306 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 -1.4061 -0.4960 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 1.9637 0.0584 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 1.1249 -1.0128 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 0.7256 1.1162 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5742 1.6644 -0.9768 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1557 1.0295 1.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 0.7194 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 0.2814 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.3844 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 -0.7176 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -1.2232 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -0.4753 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -0.3407 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 0.2668 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9521 0.8710 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 1.0063 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 -0.4378 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 1.0341 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 2.1561 -0.5985 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 28 1 0 0 0 0 16 28 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 32 1 0 0 0 0 19 29 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 26 1 0 0 0 0 24 25 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 27 30 1 0 0 0 0 27 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid

4.2 InChI

InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)

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)