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Chlorofos
CAS: 52-68-6 | C4H8Cl3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52-68-6
Molecular Formula:
C4H8Cl3O4P
Molecular Mass:
257.44 g/mol
Names and Synonyms:
Chlorofos
Phosphonic acid, P-(2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester
Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester
ENT 19,763
Agroforotox
Chlorophos
O,O-Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate
O,O-Dimethyl-1-oxy-2,2,2-trichloroethyl phosphonate
Dipterex
Dylox
Dyrex
Dyvon
Forotox
Methyl chlorophos
Metrifonate
Metriphonate
Neguvon
Phoschlor
Soldep
Trichlorfon
Trichlorphon
Tugon
Wotexit
Chlorofos
Ditrifon
Foschlor
DEP
Foschlor R
Foschlor R 50
WEC 50
O,O-Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Polfoschlor
Flibol E
Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Chloroxyphos
Votexit
Chlorophthalm
Ritsifon
Anthon
Combot
Fliegenteller
Trichlorphon FN
Sotipox
Chloroftalm
Dipterex 50
DETF
Loisol
Dimethyl 1-hydroxy-2,2,2-trichloroethylphosphonate
Mazoten
Volfartol
Masoten
Diptevur
Ricifon
DEP (pesticide)
Hypodermacid
Dimetox
Aerol 1 (pesticide)
Depthon
Satox 20WSC
Chlorak
Danex
Dioxaphos
Proxol
Dipterex SL
Onefon
Ditriphon 50
BAY-L 1359
(±)-Trichlorfon
Dipterex WP 80
BAY-a 9826
1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester
Dipterex 500
NSC 8923
Promem
O,O-Dimethyl O-(1-hydroxy-2,2,2-trichloroethyl) phosphonate
Dibaichong
Bayer Advanced 24hr Grub control
Vulcano 420
Identifiers:
SMILES:
COP(=O)(OC)C(O)C(Cl)(Cl)Cl
InChI:
InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
Key Properties
Boiling Point
100 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
83-84 °C
CAS Common Chemistry
Density
1.73 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 | 257.44 g/mol | CAS Common Chemistry |
| 257.437 g/mol | RDKit | |
| 255.92257840599999 g/mol | RDKit | |
| Density | 1.73 g/cm³ | CAS Common Chemistry |
| 1.73 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 100 °C @ Press: 1 Torr | 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 |
| LogP | 2.1609000000000003 | RDKit |
| Molar Refractivity | 47.92130000000002 | RDKit |
