CAS No.: 150-68-5 — Monuron (3-(对氯苯基)-1,1-二甲基脲)

1. Primary Information

English name:	Monuron
CAS No.:	150-68-5
Molecular formula:	C₉H₁₁ClN₂O
Molecular weight:	198.65 g/mol
SMILES:	CN(C)C(=O)NC1=CC=C(C=C1)Cl
Structural class:
Other identifiers:	chlorophenyl dimethylurea monouron monuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetonitrile	208	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 4.8986 -0.3452 0.0004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 -1.6194 -0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 0.1393 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 0.5603 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 0.3430 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 -0.4027 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 1.4330 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -0.9543 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 -0.7037 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 1.5803 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 1.2192 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 -1.1682 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 -0.0814 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 1.5402 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 2.4499 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 -1.8512 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0293 -0.4709 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0374 -0.4958 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 -1.7634 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5737 1.7862 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 2.0268 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 2.0202 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 2.0755 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -2.1867 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(4-chlorophenyl)-1,1-dimethylurea

4.2 InChI

InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

4.3 InChIKey

BMLIZLVNXIYGCK-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)C(=O)NC1=CC=C(C=C1)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)