CAS No.: 35367-38-5 — Diflubenzuron (-)

1. Primary Information

English name:	Diflubenzuron
CAS No.:	35367-38-5
Molecular formula:	C₁₄H₉ClF₂N₂O₂
Molecular weight:	310.68 g/mol
SMILES:	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F
Structural class:
Other identifiers:	Diflubenzuron Dimilin Dioflubenzuron TH 6040 TH-6040

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	640	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000 μg/mL in methanol	166	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	100 μg/mL in methanol	57	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 7.4516 -0.0472 -0.1230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -1.9209 0.7760 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 2.0876 -0.6463 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 2.0354 0.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 1.7695 0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -0.4225 -0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 0.0938 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 0.1018 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 -0.3327 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 0.8245 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 -1.2642 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2536 0.7746 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -1.4644 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8852 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 0.5981 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 -1.9572 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 0.0816 -0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 -1.2844 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -1.3758 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 0.9738 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 -0.1566 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 -1.3433 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 -2.4187 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 1.8029 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -0.8869 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 -3.0207 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3368 0.6056 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4462 -1.8240 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 -2.2649 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 1.9300 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 15 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide

4.2 InChI

InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

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)