1,2,4-Trichloro-5-nitrobenzene
Structural formula
| Business number | 0215 |
|---|---|
| Molecular formula | C6H2Cl3NO2 |
| Molecular weight | 226 |
| label |
2,4,5-Trichloronitrobenzene, 2,4,5-Trichloronitrobenzene, 2,4,5-Trichloro-1-nitrobenzene |
Numbering system
CAS number:89-69-0
MDL number:MFCD00007072
EINECS number:201-931-7
RTECS number:DC2275000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Low melting point crystal
2. Density (g/mL, 25/4℃): 1.79
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): 49-57
5. Boiling point (ºC, normal pressure): 288
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): 170
9. Ratio Optical rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC ): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 47.48
2. Molar volume (cm3/mol): 137.1
3. Isotonic specific volume (90.2K ): 370.3
4. Surface tension (dyne/cm): 53.2
5. Polarizability (10-24cm3): 18.82
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 184
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Stored sealed and protected from light.
Synthesis method
Prepared by nitration of 1,2,4-trichlorobenzene with mixed acid.
Purpose
Intermediate of fluobenzene salicylic acid.
