CAS No.: 330-55-2 — Linuron (利谷隆)

1. Primary Information

English name:	Linuron
CAS No.:	330-55-2
Molecular formula:	C₉H₁₀Cl₂N₂O₂
Molecular weight:	249.09 g/mol
SMILES:	CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
Structural class:
Other identifiers:	Afalon Linuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	166	2-8℃	in stock	-
Kehua Intelligence	1g	HPLC≥98%	1280	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	208	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 3.7510 2.2233 -0.2057 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8694 -0.7860 0.2001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 1.2723 -0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 -1.9001 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 0.2431 -0.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 -0.1099 -0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 0.0129 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 1.0853 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -1.2811 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 -0.6862 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 0.8578 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -1.5087 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -0.4393 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 -0.8671 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 1.8838 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 1.2115 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9407 2.0941 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 -2.1606 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 -2.5257 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -0.6311 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0339 -0.5829 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2785 -1.9418 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5531 2.9682 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 1.6171 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 1.6085 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea

4.2 InChI

InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

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)