4-Chloro-2-nitroaniline
Structural formula
| Business number | 0211 |
|---|---|
| Molecular formula | C6H5ClN2O2 |
| Molecular weight | 172 |
| label |
1-amino-4-chloro-2-nitrobenzene, 1-Amino-4-chloro-2-nitrobenzene, Aromatic nitrogen-containing compounds and their derivatives |
Numbering system
CAS number:89-63-4
MDL number:MFCD00007836
EINECS number:201-925-4
RTECS number:BX1575000
BRN number:512436
PubChem number:24855330
Physical property data
1. Properties: Orange-red crystalline powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 116-117
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, soluble in ethanol, Ether and acetic acid, slightly soluble in naphtha.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 41.92
2. Molar volume (cm3/mol): 115.5
3. Isotonic specific volume (90.2K ): 324.4
4. Surface tension (dyne/cm): 62.2
5. Polarizability (10-24cm3): 16.62
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: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological analysis�Polar surface area 71.8
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 159
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain 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
This product is highly toxic. Its toxicity is similar to that of p-nitroaniline. For its toxicity and protection methods, see p-nitroaniline.
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Packaged in plywood barrels or cardboard barrels lined with plastic bags, 35kg or 50kg per barrel. Store in a cool, ventilated place. Avoid exposure to sunlight and rain during storage and transportation. Store and transport according to regulations on toxic chemicals.
Synthesis method
Using 2,5-dichloronitrobenzene and liquid ammonia as raw materials, it is obtained by first pressurizing ammonolysis and crystallization, then filtering and drying. Raw material consumption quota: 2,5-dichloronitrobenzene (industrial product) 1167kg/t, liquid ammonia (industrial product) 230kg/t, ammonia water (industrial product) 2420kg/t.
Purpose
Ice dye base is used to prepare organic pigments and dyes such as bright red lake and bright yellow 10G lake. It is used as a developer for printing and dyeing cotton and viscose fabrics, and can also be used for printing and dyeing silk and polyester fabrics.