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Molecule
Fenchlorphos
CAS: 299-84-3 · C8H8Cl3O3PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 299-84-3
- Molecular Formula
- C8H8Cl3O3PS
- Molecular Mass
- 321.55 g/mol
Identifiers
CAS Registry Number
299-84-3
SMILES
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
InChI Key
JHJOOSLFWRRSGU-UHFFFAOYSA-N
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
Names and Synonyms
- Fenchlorphos Synonym
- Phosphorothioic acid, O,O-dimethyl O-(2,4,5-trichlorophenyl) ester Synonym
- Dow ET 14 Synonym
- Dow ET 57 Synonym
- ET 57 Synonym
- ENT 23,284 Synonym
- O,O-Dimethyl O-(2,4,5-trichlorophenyl) phosphorothioate Synonym
- O,O-Dimethyl O-(2,4,5-trichlorophenyl) thiophosphate Synonym
- Etrolene Synonym
- Fenchlorfos Synonym
- Fenchlorphos Synonym
- Korlane Synonym
- Nanchor Synonym
- Ronnel Synonym
- Trolene Synonym
- ET 14 Synonym
- Nankor Synonym
- OMS 123 Synonym
- Remelt Synonym
- Gesektin K Synonym
- Trolen Synonym
- Rovan Synonym
- Moorman's Medicated Rid-Ezy Synonym
- Blitex Synonym
- Dermafos Synonym
- Ectoral Synonym
- Fenclofos Synonym
- Korlan Synonym
- Phenchlorfos Synonym
- Fenclorvur Synonym
- Trichlorometaphos Synonym
- Trichlormetaphos Synonym
- Viozene Synonym
- O,O-Dimethyl O-(2,4,5-trichlorophenyl) phosphorothionate Synonym
- NSC 8926 Synonym
- Fenclorfos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.55 g/mol | CAS Common Chemistry |
| 321.549 g/mol | RDKit | |
| 321.533 g/mol | chempirical lib | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.485 g/cm3 @ 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 |
| 4.5429 | RDKit | |
| Molar Refractivity | 70.40300000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 319.899734786 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 321.55 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
