Benzofuron
Structural formula
| Business number | 03YB |
|---|---|
| Molecular formula | C9H11ClN2O |
| Molecular weight | 198 |
| label |
3-p-Chlorophenyl-1,1-dimethylurea, Telvar, herbicide |
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 basesStorage 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 basesStorage 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>