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
• 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: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.