3,5-dichlorosalicylicaldehyde

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:90-60-8

mdl number:mfcd00003320

einecs number:202-005-5

rtecs number:none

brn number:973391

pubchem number:24855836

physical property data

• 1. characteristics: off-white powder

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

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

  4. melting point ( ºc） ： 91-94

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

  6. boiling point ( ºc,5.2kpa): undetermined

  7. refractive index: undetermined

  8. flashpoint (ºc): undetermined

  9. specific optical rotation (º): undetermined

  10. autoignition point or ignition temperature (ºc): not ok

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

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

  18. lower explosion limit (%,v/v): not ok

  19. solubility: dissolvable in heat water and chloroform.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 44.67

2. molar volume (m³/mol）：123.4

3. isotonic specific volume (90.2k):339.0

4. surface tension (dyne/cm):56.9

5. polarizability（10^-24cm³):17.71

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.8

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: 4

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 151

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 kept sealed.

synthesis method

none

purpose

organic synthesis.

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4. surface tension (dyne/cm):56.9

5. polarizability（10^-24cm³):17.71

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.8

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: 4

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 151

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 kept sealed.

synthesis method

none

purpose

organic synthesis.