Structural formula
| Business number | 0171 |
|---|---|
| Molecular formula | C6H14FO3P |
| Molecular weight | 184.15 |
| label |
Isopropyl fluorophosphate, O,O-diisopropylphosphoryl fluoride, DFP, DIFP, O,O-Diisopropyl fluorophosphates, Isoflurophate, Organophosphorus pesticides |
Numbering system
CAS number:55-91-4
MDL number:MFCD00008873
EINECS number:200-247-6
RTECS number:TE5075000
BRN number:1723307
PubChem number:24893303
Physical property data
1. Character: Colorless liquid.
2. Density (g/mL,25/4?):1.055
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):82
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa???9 mmHg)62??1.200kPa).
7. Refractive index:1.3830
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient (water): Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:25?solubility in water (mass fraction)1.54%(decomposition, pHValue approx.2.5). Not easily soluble in mineral oil.
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 40.29
2. Molar Volume (m3/mol??170.6
3. isotonic specific volume (90.2K):386.5
4. Surface Tension (dyne/cm):26.3
5. Polarizability?10-24cm3): 15.97
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 144
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dark place.
Synthesis method
None
Purpose
enzyme inhibitor. Medical choline functional agent.
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