Structural formula
| Business number | 0205 |
|---|---|
| Molecular formula | C7H3Cl2NO4 |
| Molecular weight | 235 |
| label |
2,5-Dichloro-3-nitro-benzoic acid, 2-5-Dichloro-3-nitrobenzoic acid, herbicide |
Numbering system
CAS number:88-86-8
MDL number:MFCD00014691
EINECS number:201-862-2
RTECS number:DG7875000
BRN number:1976119
PubChem number:24866894
Physical property data
1. Characteristics: Crystalline.
2. Density ( g/mL,25/4℃) : Undetermined
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point ( ºC): 220℃
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
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Oil and water (octanol/water) partition coefficient pair Value: Undetermined
17. Explosion limit (%,V/V): Not OK
18. Lower explosion limit (%,V/V): Not OK
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
None
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: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 83.1
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 255
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 away from light.
Synthesis method
None
Purpose
Organic synthesis.
erning: 0pt”>18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
None
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: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 83.1
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 255
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 away from light.
Synthesis method
None
Purpose
Organic synthesis.
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