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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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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