2,6-Dichlorobenzaldehyde 2,6-Dichlorobenzaldehyde
Structural formula
| Business number | 01TR |
|---|---|
| Molecular formula | C7H4Cl2O |
| Molecular weight | 175 |
| label |
2,6-Dichlorobenzaldehyde, 2,6-Dichlorobenzaldehyde |
Numbering system
CAS number:83-38-5
MDL number:MFCD00003307
EINECS number:201-472-2
RTECS number:None
BRN number:386477
PubChem number:24893954
Physical property data
1. Properties: Industrial grade is white or slightly yellow crystalline powder.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):68 -71°C
5. Boiling point (ºC,Normal pressure):165°C
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flashpoint (ºC): greater than 300
9. Specific optical activity Degree (º): Not sure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure (kPa,60ºC): Unsure
13. 18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Soluble in hot ethanol and hot ether, insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 42.79
2. Molar volume (m3/mol）：125.0
3. isotonic specific volume (90.2K):324.0
4. Surface Tension (dyne/cm):45.1
5. Polarizability（10-24cm3):16.96
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 117
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 cool, dark place.
Synthesis method
None
Purpose
Intermediates for the synthesis of dyes, pesticides and pharmaceuticals. Mainly used to produce acid medium bleached orchidB. It can also be used in the pharmaceutical industry to prepare diclofenac penicillin sodium.
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5. Polarizability（10-24cm3):16.96
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 117
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 cool, dark place.
Synthesis method
None
Purpose
Intermediates for the synthesis of dyes, pesticides and pharmaceuticals. Mainly used to produce acid medium bleached orchidB. It can also be used in the pharmaceutical industry to prepare diclofenac penicillin sodium.