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:92-72-8

mdl number:mfcd00021635

einecs number:202-182-9

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: light gray or green powder.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (oc): 193-194

5. boiling point (oc, normal pressure): undetermined

6. boiling point (oc, 94.7kpa): 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: easily soluble in acetone, soluble in pyridine , ethanol and benzene, insoluble in sodium carbonate solution. it is a yellow solution with green fluorescence in sulfuric acid; it is a yellow solution in sodium hydroxide. stable to air.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 98.80

2. molar volume (cm³/mol): 260.8

3. isotonic specific volume (90.2k ): 714.9

4. surface tension (dyne/cm): 56.4

5. polarizability (10^-24cm³): 39.16

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 4.8

2. hydrogen bond donor?number of bonds: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. tautomers number: 9

6. topological molecule polar surface area 67.8

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 463

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 stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15 .number of covalent bond units: 1

properties and stability

stable to air, dip dyeing temperature is 30oc and pad dyeing temperature is 90oc.

storage method

this product should be sealed and stored in a cool place.

synthesis method

using 2,3-acid and 2,4-dimethoxy-5-chloroaniline as raw materials, 2,3-acid is first made into sodium salt in chlorobenzene medium, and then mixed with 2,4-acid in the presence of pcl3 dimethoxy-5-chloroaniline is condensed, and the finished product is obtained through neutralization, distillation, filtration and drying.

purpose

nathophenol as-itr is mainly used as a dyeing primer for cotton to dye red. for example, it can be used with red base itr and red base kl to dye bright pink. high affinity to cotton. it is also used for dyeing viscose fiber, silk, nylon, printing cotton and manufacturing lake pigments.

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