Structural formula
| Business number | 04TW |
|---|---|
| Molecular formula | C7H4F2O |
| Molecular weight | 142.10 |
| label |
2,6-Difluorobenzaldehyde, 2,6-Difluorobenzaldehyde, 97%, 3,4,5-Trifluorobenzonitrile, 2,6-DIFLUOROBENZALDEHYDE, TIMTEC-BB SBB006685, 2,6-Difluorobenzaldehyde,97%, 3,4,5-triflurobenzenenitrile, 2,6-Difluorobenzaldehyde 98%, 2,6-Difluorobenzaldehyde98%, 2,6-DIFLUORLOBENZALDEHYDE, 2-6-Difluorbenzaldehyd |
Numbering system
CAS number:437-81-0
MDL number:MFCD00010293
EINECS number:000-000-0
RTECS number:None
BRN number:1935273
PubChem number:24856057
Physical property data
一 , physical property data
Traits ：Yellow liquid
Density (g/mL,25/4℃): 1.317
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 15-17
Boiling point (ºC, normal pressure):82-84
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.506-1.509
Flash Point (ºC): 73
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:Not available .
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:32.99
2、 Molar volume（m3/mol)：109.5
3, Isotonic specific volume (90.2K): 266.5
4、 Surface tension（dyne/cm)：35.1
5、 Polarizability(10-24cm3）：13.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. RotatableNumber of converted chemical bonds: 1
5. Number of tautomers: None
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 117
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
Intermediates for pharmaceuticals, pesticides, and liquid crystal materials.
