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.