4-Chloro-2-nitroaniline

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.