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Diazinon
CAS: 333-41-5 | C12H21N2O3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
333-41-5
Molecular Formula:
C12H21N2O3PS
Molecular Weight:
304.35200000000003 g/mol
Names and Synonyms:
Diazinon
Kleen-Dok
KFM Blowfly Dressing
Topclip Blue Shield
Compass (insecticide)
Dizinil
Topclip 40
Drawizon
Diazinon 4E
Terminator
Optimizer
Dazzel
Delzinon
Dizictol
Knox Out 2FM
Compass
Bazanon
Basudin S
Disonex
Bassadinon
Meodinon
Knox-out
Spectracide 25EC
Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate
Oleodiazinon
Neocidol (oil)
Neocidol
Galesan
Dassitox
Dacutox
Antigal
Dimpylat
Flytrol
Exodin
Dicid
Ciazinon
Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate
Garden Tox
Dimpylate
O,O-Diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) thiophosphate
Diazinon AG 500
Basudin 5G
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidinyl) phosphorothioate
ENT 19507
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate
Basudin 10G
Sarolex
Basudin
Spectracide
O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate
Diazinon
G 24480
ENT 19,507
G 301
Phosphorothioic acid, O,O-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester
Phosphorothioic acid, O,O-diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester
Phosphorothioic acid, O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester
Akate Suro
Nasr-Cidol
Dew 600EW
Basudin 600 EW
Diazinon G
Hi-Yield Imported Fire Ant Killer
Ortho Diazinon Ultra
Evict
NSC 8938
Cooper's Flystrike Powder
Topclip Blue
Identifiers:
SMILES:
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
InChI:
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
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 | 304.35 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diazinon None | Legacy Database |
| cas-boiling-point | 83-84 °C @ Press: 2 x 10-3 Torr None | Legacy Database |
| cas-canonical-smile | S=P(OC=1N=C(N=C(C1)C)C(C)C)(OCC)OCC None | Legacy Database |
| cas-density | 1.116-1.118 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FHIVAFMUCKRCQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | Diazinon None | Legacy Database |
| wikipedia-name | Diazinon None | Legacy Database |
| LogP | 3.5847200000000026 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 304.35200000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 304.10105016200004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 53.47 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 79.02300000000004 | RDKit |
