Benzofuron

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Structural formula of 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. Polarizability10-24cm3):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. Polarizability10-24cm3):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>

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