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Imidacloprid
CAS: 138261-41-3 | C9H10ClN5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
138261-41-3
Molecular Formula:
C9H10ClN5O2
Molecular Weight:
255.66500000000002 g/mol
Names and Synonyms:
Imidacloprid
(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine
2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-
BAY-NTN 33893
Merit
Imidacloprid
NTN 33893
1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine
Gaucho
Confidor 200SL
Confidor
Admire
Provado
Merit (insecticide)
Confidor SL
CP 1
NTN 33893-240FS
Advantage Flea Adulticide
1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine
Premise
Meritgreen
Hachikusan
1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine
Baimieshi
Prescribe
Trimax
Trimax (pesticide)
Pro-Agro
Imicide
Admire 2F
Premis
Premise (insecticide)
Gaucho Grande
Genesis
Marathon II
Preventol TM
Grubex
Bayer Advanced Season-Long Grub control
AGST 03001
Genesis (pesticide)
Rinfidor
Comodor
Admire Pro
Quick-Bayt
Marathon
Marathon (insecticide)
Trimax Pro
NUP 06024
Nuprid
NUP 06023
Alias 2F
AEF 106464
Couraze
Mallet 2F
Pasada
Confidate
Alias
NUQ 05054
Widow
Macho Max
Torrent
Advise
CoreTect
1-(6-Chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylideneamine
AE-F 106464-00GR01B0
Couraze Max
Senator
Confidor 240 O-TEQ
Confidor 200 O-TEQ
Timbertreat N 98
Senator (neonicotinoid)
Jade
Gaucho 600FS
Kohinor
Confidor 70WG
Biunik 200SL
Provado 2F
Tanrec
Lada
Lada (insecticide)
Kumiai Admire
Enforce (pesticide)
Enforce
Yashijing
Confidor 100SL
Confidor 350SC
Acceleron IX 409
Merit 2F
Biotlin
Merit 75WP
1-[(6-Chloro-3-pyridyl)methyl]-N-nitro-2-imidazolidineimine
Imidamex
Imida Nova 60
TM 0314
Suscon Maxi
Senator WG
IX 104
Confidence 555
Identifiers:
SMILES:
O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 255.67 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Imidacloprid None | Legacy Database |
| cas-canonical-smile | O=N(=O)N=C1NCCN1CC2=CN=C(Cl)C=C2 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 144 °C None | Legacy Database |
| cas-name | Imidacloprid None | Legacy Database |
| wikipedia-name | Imidacloprid None | Legacy Database |
| LogP | 0.6879 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 255.66500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 255.05230224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.66 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 62.089100000000016 | RDKit |
