Structural formula
Business number | 04JD |
---|---|
Molecular formula | C5H4FN |
Molecular weight | 97.09 |
label |
Heterocyclic compounds |
Numbering system
CAS number:372-48-5
MDL number:MFCD00006224
EINECS number:206-757-5
RTECS number:UT3900000
BRN number:1515
PubChem number:24894777
Physical property data
一 , physical property data
Traits :Colorless transparent liquid
Density (g/mL,25/4℃): 1.336
Relative Vapor density (g/mL, air=1):Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 125-127
Boiling point (ºC, 5.2kPa): Not available
Refractive index: 1.466
Flash Point (ºC): 28
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Do not� .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1. Molar refractive index:24.33
2. Molar volume (m3/mol):86.8
3. Isotonic specific volume (90.2K): 208.5
4. Surface tension (dyne/cm): 33.2
5. Polarizability(10-24cm3): 9.64
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 12.9
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 56
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
None
Synthesis method
None
Purpose
Used as pharmaceutical and pesticide intermediates