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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 Mass:
304.35 g/mol
Names and Synonyms:
Diazinon
Phosphorothioic acid, O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester
Phosphorothioic acid, O,O-diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester
Phosphorothioic acid, O,O-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester
G 301
ENT 19,507
G 24480
Diazinon
O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate
Spectracide
Basudin
Sarolex
Basudin 10G
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate
ENT 19507
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidinyl) phosphorothioate
Basudin 5G
Diazinon AG 500
O,O-Diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) thiophosphate
Dimpylate
Garden Tox
Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate
Ciazinon
Dicid
Exodin
Flytrol
Dimpylat
Antigal
Dacutox
Dassitox
Galesan
Neocidol
Neocidol (oil)
Oleodiazinon
Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate
Spectracide 25EC
Knox-out
Meodinon
Bassadinon
Disonex
Basudin S
Bazanon
Compass
Knox Out 2FM
Dizictol
Delzinon
Dazzel
Optimizer
Terminator
Diazinon 4E
Drawizon
Topclip 40
Dizinil
Compass (insecticide)
Topclip Blue Shield
KFM Blowfly Dressing
Kleen-Dok
Topclip Blue
Cooper's Flystrike Powder
NSC 8938
Evict
Ortho Diazinon Ultra
Hi-Yield Imported Fire Ant Killer
Diazinon G
Basudin 600 EW
Dew 600EW
Nasr-Cidol
Akate Suro
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
Key Properties
Boiling Point
83-84 °C @ Press: 2 x 10-3 Torr
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.116-1.118 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.35 g/mol | CAS Common Chemistry |
| 304.35200000000003 g/mol | RDKit | |
| 304.10105016200004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diazinon | CAS Common Chemistry |
| Boiling Point | 83-84 °C @ Press: 2 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | S=P(OC=1N=C(N=C(C1)C)C(C)C)(OCC)OCC | CAS Common Chemistry |
| Density | 1.116-1.118 g/cm3 @ Temp: 20 °C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FHIVAFMUCKRCQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Diazinon | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.47 Ų | RDKit |
| LogP | 3.5847200000000026 | RDKit |
| Molar Refractivity | 79.02300000000004 | RDKit |
