2,3,4,6-tetrachlorophenol 2,3,4,6 tetrachlorophenol

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:58-90-2

mdl number:mfcd00019979

einecs number:200-402-8

rtecs number:sm9275000

brn number:none

pubchem number:24867777

physical property data

1. characteristics: white needle crystal. has a strong special smell.

2. density (g/ml,25/4℃):1.839

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

4. melting point (ºc):69~70

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

6. boiling point (ºc, 3.07kpa): 164

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

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

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

12. 3, reproductive toxicity: oral administration to female rats tdlo: 300mg/kg, 6-15 days after conception

4, mutagenicity: cytogenetics analysistest system: rodent – hamster lung: 250mg/l

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 47.71

2. molar volume (m³/mol）：135.6

3. isotonic specific volume (90.2k):365.7

4. surface tension (dyne/cm):52.8

5. polarizability(10^-24cm³):18.21

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: 0

5. number of tautomers: 3

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 143

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 yet

storage method

this product should be sealed and stored away from light.

synthesis method

none yet

purpose

organic synthesis. fungicides.

e=”font-size: 9pt; font-family: arial”>365.7

4. surface tension (dyne/cm):52.8

5. polarizability(10^-24cm³):18.21

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: 0

5. number of tautomers: 3

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 143

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 yet

storage method

this product should be sealed and stored away from light.

synthesis method

none yet

purpose

organic synthesis. fungicides.