Diethyl fluoromalonate
Structural formula
| Business number | 078Z |
|---|---|
| Molecular formula | C7H11FO4 |
| Molecular weight | 178.16 |
| label |
diethyl fluoromalonate, 2-Fluorodiethylmalonate, Diethyl fluoromalonate, 2-Fluorodiethylmalonate, Fluoromalonic Acid Diethyl Ester, FCH(COOC2H5)2, Fluorinating agent |
Numbering system
CAS number:685-88-1
MDL number:MFCD00009139
EINECS number:211-684-7
RTECS number:OO1670000
BRN number:1775686
PubChem number:24857220
Physical property data
1. Characteristics: colorless liquid.
2. Density (g/mL,25/4℃): 1.129
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.407
8. Flash Point (ºC): 62
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 of water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Not soluble in water.
Toxicological data
1, acute toxicity: Mouse (subcutaneous) LD50: 15mg/kg;
Rat (subcutaneous)LD50： 70mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.
Molecular structure data
1. Molar refractive index:38.15
2. Molar volume（m3/ mol）：156.8
3. isotonic ratio（90.2K）：367.0
4. Surface Tension（dyne/cm）：29.9
5. Dielectric constant:
6. Dipole moment(10-24cm3)：
7. Polarizability: 15.12
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: 5
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 151
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
Keep away from oxides, bases.
Storage method
Store in an airtight container and place Store in a cool, dry place. Stored The place must be locked and the keys must be given to the technical experts and their assistants for safekeeping. The storage place must be away from oxidants and strong alkali.
Synthesis method
None yet
Purpose
None yet