3,5-Dichlorosalicylicaldehyde
Structural formula
| Business number | 022L |
|---|---|
| Molecular formula | C7H4Cl2O2 |
| Molecular weight | 191.01 |
| label |
3,5-Dichloro-2-hydroxybenzaldehyde, 3,5-Dichlorosalicylaldehyde, Cl2C6H2(OH)CHO |
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.