benzofuron

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:150-68-5

mdl number:mfcd00018556

einecs number:205-766-1

rtecs number:ys6300000

brn number:2097922

pubchem number:24862251

physical property data

1. physical property data:

1.characteristics: white scales shape crystal

2 .melting point (℃): 173-174

3.density (g/ml,20 ℃): 1.27

4.saturation vapor pressure (kpa,100ºc): 2.66×10^-4

5 .solubility: .

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ld50: 1053 mg/kg;

rat transdermal ld50: >2150 mg/kg;

mouse oral ld50: 1920 mg/kg;

mouse abdominal cavityld50: 1 mg/kg;

rabbit transdermal ld50: >2500 mg/kg.

ecological data

3. ecological data:

other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:53.77

2. molar volume (m³/ mol):158.2

3. isotonic specific volume (90.2k): 412.3

4. surface tension (dyne/cm): 46.1

5. polarizability（10^-24cm³):21.31

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp�family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>5. molecular property data:

1. molar refractive index:53.77

2. molar volume (m³/ mol):158.2

3. isotonic specific volume (90.2k): 412.3

4. surface tension (dyne/cm): 46.1

5. polarizability（10^-24cm³):21.31

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: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 32.3

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 177

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

stable under normal temperature and pressure.

incompatible materials:strong oxidants, strong acids, strong bases

storage method

seal and store in a dry and cool place.

synthesis method

can be synthesized from p-chloroaniline, phosgene and dimethylamine as raw materials. span>

purpose

agriculture is mainly used for soil treatment, control of grapes, sugar cane, cotton and field crops of monocotyledonous and dicotyledonous weeds. span>

��: none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 32.3

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 177

10. number of isotope atoms: 0

11. determine the atomic configuration number of centers: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

incompatible materials:strong oxidants, strong acids, strong bases

storage method

seal and store in a dry and cool place.

synthesis method

can be synthesized from p-chloroaniline, phosgene and dimethylamine as raw materials. span>

purpose

agriculture is mainly used for soil treatment, control of grapes, sugar cane, cotton and field crops of monocotyledonous and dicotyledonous weeds. span>