C fly repellent
Structural formula
| Business number | 03QV |
|---|---|
| Molecular formula | C13H17NO4 |
| Molecular weight | 251.28 |
| label |
Dipropylpyridine, Anthelmin, C fly repellent, Dipropyl 2,5-pyridinedicarboxylate, Dipropylisocincheronate, Diisopropyl pyridine-2,5-dicarboxylate, aromatic compounds, pesticides |
Numbering system
CAS number:136-45-8
MDL number:MFCD00055315
EINECS number:205-245-9
RTECS number:US8000000
BRN number:229600
PubChem number:24862247
Physical property data
None
Toxicological data
Acute toxicity data :
Rat Sutra Mouth LD50: 5230mg/kg
Rat skin LD50：9400mg/kg
Mouse Sutra 口LD50:1600mg/kg
Mouse abdominal cavity LD50:330mg/kg
Rabbit skin contact LD50：9500mg/kg
Ecological data
None
Molecular structure data
Molecular property data:
1, Molar refractive index：66.33
2, Molar volume（m3/mol):225.2
3, Isotonic specific volume（90.2K）：565.0
4, Surface tension（3.0 dyne/ cm):39.6
5, Polarizability（0.5 10 -24cm3):26.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: none
6. Topological molecule polar surface area 65.5
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 280
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
Storage method
None
Synthesis method
It can be obtained by the diene addition reaction of furancarbaldehyde and butadiene
Purpose
Used to repel cockroaches, mosquitoes, gnats, stable flies, horse blood flies, etc.
SPAN>39.6
5, Polarizability（0.5 10 -24cm3):26.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: none
6. Topological molecule polar surface area 65.5
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 280
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
Storage method
None
Synthesis method
It can be obtained by the diene addition reaction of furancarbaldehyde and butadiene
Purpose
Used to repel cockroaches, mosquitoes, gnats, stable flies, horse blood flies, etc.
