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Fenchlorphos
CAS: 299-84-3 | C8H8Cl3O3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
299-84-3
Molecular Formula:
C8H8Cl3O3PS
Molecular Mass:
321.55 g/mol
Names and Synonyms:
Fenchlorphos
Phosphorothioic acid, O,O-dimethyl O-(2,4,5-trichlorophenyl) ester
Dow ET 14
Dow ET 57
ET 57
ENT 23,284
O,O-Dimethyl O-(2,4,5-trichlorophenyl) phosphorothioate
O,O-Dimethyl O-(2,4,5-trichlorophenyl) thiophosphate
Etrolene
Fenchlorfos
Fenchlorphos
Korlane
Nanchor
Ronnel
Trolene
ET 14
Nankor
OMS 123
Remelt
Gesektin K
Trolen
Rovan
Moorman's Medicated Rid-Ezy
Blitex
Dermafos
Ectoral
Fenclofos
Korlan
Phenchlorfos
Fenclorvur
Trichlorometaphos
Trichlormetaphos
Viozene
O,O-Dimethyl O-(2,4,5-trichlorophenyl) phosphorothionate
NSC 8926
Fenclorfos
Identifiers:
SMILES:
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
InChI:
InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
Key Properties
Boiling Point
97 °C @ Press: 9.8 x 10-3 Torr
CAS Common Chemistry
Melting Point
41 °C
CAS Common Chemistry
Density
1.49 g/cm³
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 | 321.55 g/mol | CAS Common Chemistry |
| 321.549 g/mol | RDKit | |
| 319.899734786 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.485 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 97 °C @ Press: 9.8 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | S=P(OC1=CC(Cl)=C(Cl)C=C1Cl)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JHJOOSLFWRRSGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | Fenchlorphos | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.542900000000002 | RDKit |
| Molar Refractivity | 70.40300000000002 | RDKit |
