Oat Ling Barban

Structural formula

• 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:101-27-9

MDL number:MFCD00045297

EINECS number:202-930-4

RTECS number:FD7700000

BRN number:2376181

PubChem number:24899240

Physical property data

1. Properties: The pure product is white crystal, and the original drug is brown solid.

2. Density (g/mL, 30℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 75-76

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 0.266KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 25ºC): Not determined

12. Saturated vapor Pressure (kPa, 25ºC): 0.499×10-7

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

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15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in benzene, toluene, Xylene and dichloroethylene are soluble in n-hexane and insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 527mg/kg; Rat inhalation LC50: 27400mg/m3/4H; Rat skin contact LD50: >1600mg/kg; Rat route unknown LD50: 527mg/kg; Mouse meridian Oral LD50: 322mg/kg; Rabbit oral LD50: 600mg/kg; Rabbit skin contact LD50: 23000mg/kg; Guinea pig oral LD50: 240mg/kg; Mammalian route unknown LD50: 24 0mg/kg; 2. Mutagenicity: DNA repair test:���Bacillus leucophylla, 20 μg/disc;

Ecological data

This substance may be harmful to the environment and it is recommended not to let it enter the environment.

Molecular structure data

1. Molar refractive index: 63.91

2. Molar volume (cm³/mol): 185.0

3. Isotonic specific volume (90.2K ): 502.4

4. Surface tension (dyne/cm): 54.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 25.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 38.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 295

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

Avoid contact with strong acids, alkalis, and strong oxidants.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is obtained by esterification, condensation, chlorination and reaction using butynediol, m-chloroaniline, phosgene and thionyl chloride as raw materials.

Purpose

Used as a herbicide, mainly for post-emergence control of wild oats.