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Molecule
Chlorofos
CAS: 52-68-6 · C4H8Cl3O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52-68-6
- Molecular Formula
- C4H8Cl3O4P
- Molecular Mass
- 257.44 g/mol
Identifiers
CAS Registry Number
52-68-6
SMILES
COP(=O)(OC)C(O)C(Cl)(Cl)Cl
InChI Key
NFACJZMKEDPNKN-UHFFFAOYSA-N
InChI
InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
Names and Synonyms
- Chlorofos Common Name
- Phosphonic acid, P-(2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester Synonym
- Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester Synonym
- ENT 19,763 Synonym
- Agroforotox Synonym
- Chlorophos Synonym
- O,O-Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate Synonym
- O,O-Dimethyl-1-oxy-2,2,2-trichloroethyl phosphonate Synonym
- Dipterex Synonym
- Dylox Synonym
- Dyrex Synonym
- Dyvon Synonym
- Forotox Synonym
- Methyl chlorophos Synonym
- Metrifonate Synonym
- Metriphonate Synonym
- Neguvon Synonym
- Phoschlor Synonym
- Soldep Synonym
- Trichlorfon Synonym
- Trichlorphon Synonym
- Tugon Synonym
- Wotexit Synonym
- Chlorofos Synonym
- Ditrifon Synonym
- Foschlor Synonym
- DEP Synonym
- Foschlor R Synonym
- Foschlor R 50 Synonym
- WEC 50 Synonym
- O,O-Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate Synonym
- Polfoschlor Synonym
- Flibol E Synonym
- Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate Synonym
- Chloroxyphos Synonym
- Votexit Synonym
- Chlorophthalm Synonym
- Ritsifon Synonym
- Anthon Synonym
- Combot Synonym
- Fliegenteller Synonym
- Trichlorphon FN Synonym
- Sotipox Synonym
- Chloroftalm Synonym
- Dipterex 50 Synonym
- DETF Synonym
- Loisol Synonym
- Dimethyl 1-hydroxy-2,2,2-trichloroethylphosphonate Synonym
- Mazoten Synonym
- Volfartol Synonym
- Masoten Synonym
- Diptevur Synonym
- Ricifon Synonym
- DEP (pesticide) Synonym
- Hypodermacid Synonym
- Dimetox Synonym
- Aerol 1 (pesticide) Synonym
- Depthon Synonym
- Satox 20WSC Synonym
- Chlorak Synonym
- Danex Synonym
- Dioxaphos Synonym
- Proxol Synonym
- Dipterex SL Synonym
- Onefon Synonym
- Ditriphon 50 Synonym
- BAY-L 1359 Synonym
- (±)-Trichlorfon Synonym
- Dipterex WP 80 Synonym
- BAY-a 9826 Synonym
- 1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester Synonym
- Dipterex 500 Synonym
- NSC 8923 Synonym
- Promem Synonym
- O,O-Dimethyl O-(1-hydroxy-2,2,2-trichloroethyl) phosphonate Synonym
- Dibaichong Synonym
- Bayer Advanced 24hr Grub control Synonym
- Vulcano 420 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.44 g/mol | CAS Common Chemistry |
| 257.437 g/mol | RDKit | |
| 257.428 g/mol | chempirical lib | |
| Density | 1.73 g/cm³ | CAS Common Chemistry |
| 1.73 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=P(OC)(OC)C(O)C(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NFACJZMKEDPNKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-84 °C | CAS Common Chemistry |
| Name | Chlorofos | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| 55.76 Ų | RDKit | |
| LogP | 2.1609000000000003 | RDKit |
| 2.1609 | RDKit | |
| Molar Refractivity | 47.92130000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 255.92257840599999 g/mol | RDKit |
| Boiling Point | 100 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 257.44 g/mol; density = 1.730 g/mL. Edit any field — others recompute live.
