CAS No.: 116714-46-6 — Novaluron (双苯氟脲)

1. Primary Information

English name:	Novaluron
CAS No.:	116714-46-6
Molecular formula:	C₆H₃F₂C(O)NHC(O)NHC₆H₃ClOCF₂CFHOCF₃
Molecular weight:	492.7 g/mol
SMILES:	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
Structural class:
Other identifiers:	1-(3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea novaluron Rimon EC-10

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	184	2-8℃	in stock	-
Kehua Intelligence	50mg	HPLC≥98%	640	2-8℃	in stock	-
Kehua Intelligence	1g	98%	192	2-8℃	in stock	-
Kehua Intelligence	5g	98%	403	2-8℃	in stock	-
Kehua Intelligence	25g	98%	1152	2-8℃	in stock	-
Kehua Intelligence	100g	98%	2240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 41 42 0 1 0 0 0 0 0999 V2000 -2.7433 -3.0825 -0.0687 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6644 1.6389 -1.0951 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 0.7534 0.8093 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8837 -1.2175 0.5443 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -1.8992 -0.4506 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 2.3407 0.8455 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -0.7315 1.5465 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6859 0.2455 -0.3061 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.7318 1.3600 1.5785 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 -0.4676 -1.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 0.8718 0.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 1.6328 -0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 2.0439 -0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6786 -0.5347 -0.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 0.0907 -0.1549 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -0.5061 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 -0.5255 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 0.4870 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -1.6572 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7059 0.6353 -1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 -1.6670 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 0.6257 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -0.0592 -0.1619 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3183 0.2368 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 0.5085 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 0.8798 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -1.1434 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 1.0131 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 -1.7472 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 0.4093 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6928 -0.9709 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0501 0.4361 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 1.5367 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.5641 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 1.5464 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4798 -0.2682 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0639 -1.4083 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 -0.8545 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -2.8217 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 1.0139 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 -1.4410 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 23 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 32 1 0 0 0 0 8 32 1 0 0 0 0 9 32 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 23 1 0 0 0 0 11 32 1 0 0 0 0 12 25 2 0 0 0 0 13 26 2 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 37 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 40 1 0 0 0 0 31 41 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

4.2 InChI

InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)

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)