CAS No.: 2164-17-2 — Fluometuron (-)

1. Primary Information

English name:	Fluometuron
CAS No.:	2164-17-2
Molecular formula:	C₁₀H₁₁F₃N₂O
Molecular weight:	232.20 g/mol
SMILES:	CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
Structural class:
Other identifiers:	1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea C-2059 Cotoran Cotoran 80 WP fluometuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	100mg	95%	456	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	83	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	249	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 0 0 0 0 0 0999 V2000 3.4383 1.5010 1.0842 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -0.0662 -0.0019 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 1.5035 -1.0903 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -1.4530 -0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 0.3679 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9003 0.6852 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.2721 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -0.1313 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 0.4997 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 -1.6551 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 -1.5242 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8258 -0.2346 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 -2.2860 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.6833 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2915 0.2515 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 2.1306 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 1.5852 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 1.3804 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 -2.3224 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 -2.0338 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -3.3706 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7736 0.6563 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7924 0.6301 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -0.8385 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 2.6589 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 2.4268 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 2.4028 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea

4.2 InChI

InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

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)