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.