Structural formula
| Business number | 02FJ |
|---|---|
| Molecular formula | C6H4BrClN2O2 |
| Molecular weight | 251.47 |
| label |
2-Chloro-4-nitro-6-bromoaniline, 2-Bromo-6-chloro-4-nitro-benzenamin, 2-Bromo-6-chloro-4-nitroaniline, 2-Chloro-4-nitro-6-bromoaniline, 6-Bromo-2-chloro-4-nitroaniline, 6-Bromo-2-chloro-4-nitro aniline 2-chloro-4-nitro-6-bromo aniline, 2-Bromo-6-chloro-4-nitrobenzenamine |
Numbering system
CAS number:99-29-6
MDL number:MFCD00014770
EINECS number:202-745-9
RTECS number:None
BRN number:2372771
PubChem number:24878736
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 176-178
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20.2ºC): Undetermined
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12. Saturated vapor pressure (kPa, ºC): 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: Undetermined OK
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 49.61
2. Molar volume (cm3/mol): 131.6
3. Isotonic specific volume (90.2K ): 374.9
4. Surface tension (dyne/cm): 65.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 19.67
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 71.8
7. Number of heavy atoms: 12
8. Surface Charge: 0
9. Complexity: 187
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Used as an intermediate in organic synthesis
