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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
Dowco 179
Dursban
Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester
Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridyl) ester
ENT 27311
O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate
Dursban 4E
O,O-Diethyl-O-3,5,6-trichloro-2-pyridylphosphorothionate
Chlorpyrifos
Chlorpyriphos
Chloropyrifos
Lorsban
Chloropyriphos
Killmaster
O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl)phosphorothioate
Dursban 10CR
suSCon
Lorsban 50SL
Coroban
Chlorpyrifos-ethyl
Dhanusban
Pyrinex
Terial 40L
Terial
Danusban
Dursban R
Durmet
Dursban TC
Spannit
suSCon Blue
O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate
XRM 5160
Equity
XRM 429
Ethyl chlorpyriphos
Radar (fungicide)
Lentrek
Lock-On
Radar
suScon Green
Bonidel
Grofo
FE
Geodinfos
Tafaban
Empire 20
Chloropyrifos-ethyl
Clorpiran
Cyfos
Dursband 48
Dursband
Clorpirifos
Chlora
Chlora (insecticide)
Stipend
Pyrifos
Xinnongba
Dursban Pro
Sabre
Emperor
Gigant
Chloroban
suSCon Plus
Saurus
Chlorpyrifos E
EF 1315
Nufos 4E
LAF 1
Grub Guard
Termicot
Nufos
GF 2153
Flower Power
Lorsban 15G
Pyrical
Lorsban Advanced
Spinter
Dursban L.O.
Pestban
Lorsban 48E
Pyriban
Pirfos Glex
Pyrinex 480EC
Pyrinex 480
Dursban 20 EC
Dursban 75WG
Termifos
Hilban
CPF Zamba
Warhawk
Chlorofet
Dursban 48EC
Klorpan
Klorpan 480 EC
Megaban 20EC
Megaban
Megaban 25WP
Megaban Super
Sunpyrifos
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 |
