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Molecule
Dursban R
CAS: 2921-88-2 · C9H11Cl3NO3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2921-88-2
- Molecular Formula
- C9H11Cl3NO3PS
- Molecular Mass
- 350.59 g/mol
Identifiers
CAS Registry Number
2921-88-2
SMILES
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
InChI Key
SBPBAQFWLVIOKP-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
Names and Synonyms
- Dursban R Synonym
- Chlorpyrifos Synonym
- Dowco 179 Synonym
- Dursban Synonym
- Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester Synonym
- Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridyl) ester Synonym
- ENT 27311 Synonym
- O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate Synonym
- Dursban 4E Synonym
- O,O-Diethyl-O-3,5,6-trichloro-2-pyridylphosphorothionate Synonym
- Chlorpyrifos Synonym
- Chlorpyriphos Synonym
- Chloropyrifos Synonym
- Lorsban Synonym
- Chloropyriphos Synonym
- Killmaster Synonym
- O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl)phosphorothioate Synonym
- Dursban 10CR Synonym
- suSCon Synonym
- Lorsban 50SL Synonym
- Coroban Synonym
- Chlorpyrifos-ethyl Synonym
- Dhanusban Synonym
- Pyrinex Synonym
- Terial 40L Synonym
- Terial Synonym
- Danusban Synonym
- Durmet Synonym
- Dursban TC Synonym
- Spannit Synonym
- suSCon Blue Synonym
- O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate Synonym
- XRM 5160 Synonym
- Equity Synonym
- XRM 429 Synonym
- Ethyl chlorpyriphos Synonym
- Radar (fungicide) Synonym
- Lentrek Synonym
- Lock-On Synonym
- Radar Synonym
- suScon Green Synonym
- Bonidel Synonym
- Grofo Synonym
- FE Synonym
- Geodinfos Synonym
- Tafaban Synonym
- Empire 20 Synonym
- Chloropyrifos-ethyl Synonym
- Clorpiran Synonym
- Cyfos Synonym
- Dursband 48 Synonym
- Dursband Synonym
- Clorpirifos Synonym
- Chlora Synonym
- Chlora (insecticide) Synonym
- Stipend Synonym
- Pyrifos Synonym
- Xinnongba Synonym
- Dursban Pro Synonym
- Sabre Synonym
- Emperor Synonym
- Gigant Synonym
- Chloroban Synonym
- suSCon Plus Synonym
- Saurus Synonym
- Chlorpyrifos E Synonym
- EF 1315 Synonym
- Nufos 4E Synonym
- LAF 1 Synonym
- Grub Guard Synonym
- Termicot Synonym
- Nufos Synonym
- GF 2153 Synonym
- Flower Power Synonym
- Lorsban 15G Synonym
- Pyrical Synonym
- Lorsban Advanced Synonym
- Spinter Synonym
- Dursban L.O. Synonym
- Pestban Synonym
- Lorsban 48E Synonym
- Pyriban Synonym
- Pirfos Glex Synonym
- Pyrinex 480EC Synonym
- Pyrinex 480 Synonym
- Dursban 20 EC Synonym
- Dursban 75WG Synonym
- Termifos Synonym
- Hilban Synonym
- CPF Zamba Synonym
- Warhawk Synonym
- Chlorofet Synonym
- Dursban 48EC Synonym
- Klorpan Synonym
- Klorpan 480 EC Synonym
- Megaban 20EC Synonym
- Megaban Synonym
- Megaban 25WP Synonym
- Megaban Super Synonym
- Sunpyrifos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.59 g/mol | CAS Common Chemistry |
| 350.591 g/mol | RDKit | |
| 350.575 g/mol | chempirical lib | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.398 g/cm3 @ 43.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorpyrifos | CAS Common Chemistry |
| Canonical SMILES | S=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBPBAQFWLVIOKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41-42 °C | CAS Common Chemistry |
| Name | Chlorpyrifos | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.58 Ų | RDKit |
| LogP | 4.718100000000002 | RDKit |
| 4.7181 | RDKit | |
| Molar Refractivity | 77.43200000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 348.926283882 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 350.59 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
