structural formula

business number	013n
molecular formula	c7h3o2cl3
molecular weight	225.46
label	trysben(tm), cl3c6h2co2h

• 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:50-43-1

mdl number:mfcd00060699

einecs number:none

rtecs number:dh8050000

brn number:1874127

pubchem number:24861240

physical property data

1. character: white crystal

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air =1): undetermined

4. melting point (ºc): 160-164 °c (lit.)

5. boiling point (ºc, normal pressure): undetermined

p>

6. boiling point (ºc, 5.2 kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

p>

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa , 25 ºc): undetermined

12. saturated vapor pressure (kpa, 60 ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil-water (octanol/water) distribution coefficient log value: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

1. acute toxicity: mouse subcutaneous ld50: 1200mg/kg

ecological data

none

molecular structure data

1. molar refractive index: 47.86

2. molar volume (cm³/mol): 137.8

3. isotonic specific volume (90.2k ): 377.0

4. surface tension (dyne/cm): 56.0

5. polarizability (10-24cm3): 18.97

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: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 174

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

none

storage method

this product should be sealed and stored in a dry place away from light.

synthesis method

1-alkylcarbonyl-2,4,6-trichlorobenzene is prepared by fuckers acylation of 1,3,5-trichlorobenzene; the 1-alkylcarbonyl-2,4,6 -the oxidation reaction of trichlorobenzene produces 2,4,6-trichlorobenzoate; and the acidification reaction of the produced 2,4,6-trichlorobenzoate produces 2,4,6- trichlorobenzoic acid.

purpose

used in the synthesis of medicines, insecticides, and fungicides

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