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Chlorpyrifos
CAS: 2921-88-2 | C9H11Cl3NO3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2921-88-2
Molecular Formula:
C9H11Cl3NO3PS
Molecular Weight:
350.591 g/mol
Names and Synonyms:
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
Dursban R
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
Identifiers:
SMILES:
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 350.591 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 348.926283882 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.58 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.718100000000002 | RDKit |
| molecular_mass | 350.59 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorpyrifos None | Legacy Database |
| cas-canonical-smile | S=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC None | Legacy Database |
| cas-density | 1.398 g/cm3 @ Temp: 43.5 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=SBPBAQFWLVIOKP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 41-42 °C None | Legacy Database |
| cas-name | Chlorpyrifos None | Legacy Database |
| wikipedia-name | Chlorpyrifos None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 77.43200000000002 | RDKit |