Back to Search
Molecule
Diisopropyl Fluorophosphate
CAS: 55-91-4 · C6H14FO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 55-91-4
- Molecular Formula
- C6H14FO3P
- Molecular Mass
- 184.15 g/mol
Identifiers
CAS Registry Number
55-91-4
SMILES
CC(C)OP(=O)(F)OC(C)C
InChI Key
MUCZHBLJLSDCSD-UHFFFAOYSA-N
InChI
InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
Names and Synonyms
- Diisopropyl Fluorophosphate Common Name
- Phosphorofluoridic acid, bis(1-methylethyl) ester Synonym
- Phosphorofluoridic acid, diisopropyl ester Synonym
- Diflupyl Synonym
- Diisopropoxyphosphoryl fluoride Synonym
- Diisopropyl phosphofluoridate Synonym
- Diisopropyl phosphorofluoridate Synonym
- Dyflos Synonym
- Floropryl Synonym
- Fluorodiisopropyl phosphate Synonym
- Isoflurophate Synonym
- Diisopropyl fluorophosphate Synonym
- Isopropyl fluophosphate ((C3H7O)2FPO) Synonym
- Isopropyl phosphorofluoridate ((C3H7O)2FPO) Synonym
- Fluostigmine Synonym
- DFP (pesticide) Synonym
- Difluorophate Synonym
- DFP Synonym
- Neoglaucit Synonym
- DFF Synonym
- O,O-Diisopropyl phosphorofluoridate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.15 g/mol | CAS Common Chemistry |
| 184.147 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.055 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 183 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(F)(OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MUCZHBLJLSDCSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -82 °C | CAS Common Chemistry |
| Name | Diisopropyl fluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.9140000000000015 | RDKit |
| 2.914 | RDKit | |
| Molar Refractivity | 41.15650000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 184.066459158 g/mol | RDKit |
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
Convert
Quick conversion
MW = 184.15 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
