CAS No.: 138261-41-3 — Imidacloprid (-)

1. Primary Information

English name:	Imidacloprid
CAS No.:	138261-41-3
Molecular formula:	C₉H₁₀ClN₅O₂
Molecular weight:	255.66 g/mol
SMILES:	C1CN(C(=N[N+](=O)[O-])N1)CC2=CN=C(C=C2)Cl
Structural class:
Other identifiers:	1-((6-chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine imidacloprid Premise 75

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	252	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in Ethanol	64	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000 μg/mL in Ethanol	198	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	198	-20℃，避光	in stock	-
Kehua Intelligence	1.2mL	100μg/ml in Acetonitrile	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2mL	1000μg/ml in Acetonitrile	198	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	64	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	198	2-8℃，避光	in stock	-
Kehua Intelligence	5g	95%	144	2-8℃	in stock	-
Kehua Intelligence	25g	95%	560	2-8℃	in stock	-
Kehua Intelligence	100g	95%	1680	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 -5.1402 1.2493 -1.0050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 2.2331 -0.9406 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1715 1.4195 0.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 -1.2044 0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 -0.8879 -0.8612 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0043 0.8996 0.5698 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -0.6795 -0.0799 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 1.5341 0.0756 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0396 -2.4888 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -2.1998 -1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 -1.0599 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -0.2848 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 -0.4272 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 0.9371 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -1.1850 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 1.4941 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6845 0.6504 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -2.8281 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3349 -3.2507 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 -2.9467 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -2.1647 -2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 -0.4485 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -2.0354 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -0.4652 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6291 1.5823 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 -2.2551 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 2.5579 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 15 1 0 0 0 0 7 17 2 0 0 0 0 9 10 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 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 2 2 -1 8 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(NE)-N-[1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide

4.2 InChI

InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

4.3 InChIKey

YWTYJOPNNQFBPC-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CN(C(=N[N+](=O)[O-])N1)CC2=CN=C(C=C2)Cl

4.5 Isomeric SMILES

C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl

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)