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Molecule
Diazinon
CAS: 333-41-5 · C12H21N2O3PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 333-41-5
- Molecular Formula
- C12H21N2O3PS
- Molecular Mass
- 304.35 g/mol
Identifiers
CAS Registry Number
333-41-5
SMILES
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
InChI Key
FHIVAFMUCKRCQO-UHFFFAOYSA-N
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
Names and Synonyms
- Diazinon Common Name
- Topclip Blue Synonym
- Kleen-Dok Synonym
- Phosphorothioic acid, O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester Synonym
- Phosphorothioic acid, O,O-diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester Synonym
- Phosphorothioic acid, O,O-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester Synonym
- G 301 Synonym
- ENT 19,507 Synonym
- G 24480 Synonym
- Diazinon Synonym
- O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate Synonym
- Spectracide Synonym
- Basudin Synonym
- Sarolex Synonym
- Basudin 10G Synonym
- O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate Synonym
- ENT 19507 Synonym
- O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidinyl) phosphorothioate Synonym
- Basudin 5G Synonym
- Diazinon AG 500 Synonym
- O,O-Diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) thiophosphate Synonym
- Dimpylate Synonym
- Garden Tox Synonym
- Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate Synonym
- Ciazinon Synonym
- Dicid Synonym
- Exodin Synonym
- Flytrol Synonym
- Dimpylat Synonym
- Antigal Synonym
- Dacutox Synonym
- Dassitox Synonym
- Galesan Synonym
- Neocidol Synonym
- Neocidol (oil) Synonym
- Oleodiazinon Synonym
- Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate Synonym
- Spectracide 25EC Synonym
- Knox-out Synonym
- Meodinon Synonym
- Bassadinon Synonym
- Disonex Synonym
- Basudin S Synonym
- Bazanon Synonym
- Compass Synonym
- Knox Out 2FM Synonym
- Dizictol Synonym
- Delzinon Synonym
- Dazzel Synonym
- Optimizer Synonym
- Terminator Synonym
- Diazinon 4E Synonym
- Drawizon Synonym
- Topclip 40 Synonym
- Dizinil Synonym
- Compass (insecticide) Synonym
- Topclip Blue Shield Synonym
- KFM Blowfly Dressing Synonym
- Cooper's Flystrike Powder Synonym
- NSC 8938 Synonym
- Evict Synonym
- Ortho Diazinon Ultra Synonym
- Hi-Yield Imported Fire Ant Killer Synonym
- Diazinon G Synonym
- Basudin 600 EW Synonym
- Dew 600EW Synonym
- Nasr-Cidol Synonym
- Akate Suro Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.35 g/mol | CAS Common Chemistry |
| 304.35200000000003 g/mol | RDKit | |
| 304.352 g/mol | RDKit | |
| 304.345 g/mol | chempirical lib | |
| 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 |
| 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 |
| 3.5847 | RDKit | |
| Molar Refractivity | 79.02300000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 304.10105016200004 g/mol | RDKit |
| Density | 1.116-1.118 g/cm3 @ 20 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 304.35 g/mol. Edit any field — others recompute live.
