C fly repellent

C fly repellent structural formula

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 LD509400mg/kg


Mouse Sutra 口LD50:1600mg/kg


Mouse abdominal cavity LD50:330mg/kg


Rabbit skin contact LD509500mg/kg

Ecological data

None

Molecular structure data

Molecular property data:


1, Molar refractive index66.33


2, Molar volumem3/mol):225.2


3, Isotonic specific volume90.2K):565.0


4, Surface tension3.0 dyne/ cm):39.6


5, Polarizability0.5 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, Polarizability0.5 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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27691

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