CAS No.: 103055-07-8 — Lufenuron (氯芬新)

1. Primary Information

English name:	Lufenuron
CAS No.:	103055-07-8
Molecular formula:	C₁₇H₈Cl₂F₈N₂O₃
Molecular weight:	511.1 g/mol
SMILES:	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F
Structural class:
Other identifiers:	CGA 184699 CGA-184699 fluphenacur fluphenacur, monosodium salt lufenuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in acetonitrile	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	152	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 41 0 1 0 0 0 0 0999 V2000 2.7526 -2.7235 -0.2910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 2.8484 0.9245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 0.7290 -1.6496 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 0.8832 -1.5967 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 1.7844 0.1475 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 -0.9610 -0.0088 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -1.2976 1.1826 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 0.6931 1.0938 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 1.8764 -0.7601 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1184 -2.1199 0.5272 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 -0.1952 0.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 -1.8632 -0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -2.0860 -0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 0.3110 0.2203 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -0.1694 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -0.0923 -0.8227 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0102 0.6109 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 -0.0844 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 0.2000 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1822 -0.4121 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.1799 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 1.1540 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 1.2968 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -1.0371 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -0.6920 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9761 -0.1407 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 -0.8795 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0081 1.2299 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1376 -0.8028 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2016 1.9382 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3312 -0.0945 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3631 1.2759 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 -1.0109 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9074 2.0061 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -1.9273 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 1.2357 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 0.8088 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2261 3.0051 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2355 -0.6103 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2924 1.8274 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 7 20 1 0 0 0 0 8 20 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 25 2 0 0 0 0 13 27 2 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 14 36 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

4.2 InChI

InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)

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)