CAS No.: 68157-60-8 — Forchlorfenuron (-)

1. Primary Information

English name:	Forchlorfenuron
CAS No.:	68157-60-8
Molecular formula:	C₁₂H₁₀ClN₃O
Molecular weight:	247.68 g/mol
SMILES:	C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl
Structural class:
Other identifiers:	4PU30 cpd forchlorfenuron N-(2-chloro-4-pyridyl)-N'-phenylurea

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	280	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	121	2-8℃	in stock	-
Kehua Intelligence	1g	试剂级，98%	24	2-8℃	in stock	-
Kehua Intelligence	5g	试剂级，98%	52	2-8℃	in stock	-
Kehua Intelligence	25g	试剂级，98%	168	2-8℃	in stock	-
Kehua Intelligence	100g	试剂级，98%	560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 5.8635 -1.5469 0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 1.3526 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -0.7416 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 -0.6201 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 0.8027 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8348 -0.4154 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -0.1399 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 0.1276 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 0.9223 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -1.0407 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 1.2216 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 -1.1011 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 1.2481 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5474 0.2364 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4893 -0.5197 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 1.6412 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -1.7367 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 -1.6322 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 -2.4735 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 1.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 -2.1120 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.9934 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8995 -1.8886 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 2.2892 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 0.4901 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9573 2.6976 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 17 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(2-chloropyridin-4-yl)-3-phenylurea

4.2 InChI

InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)

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)