5-nitro-2-benzimidazolinone 5-nitro-2-benzimidazolinone

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:93-84-5

mdl number:mfcd00220274

einecs number:202-282-2

rtecs number:none

brn number:171386

pubchem number:24879745

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index:42.57

2. molar volume (m³/ mol):118.9

3. isotonic specific volume (90.2k ):331.1

4. surface tension (dyne/cm): 60.0

5. polarizability（10^-24cm³):16.87

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: 3

6. topological molecule polar surface area 87

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 250

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be sealed and stored away from light.

synthesis method

o-methoxy p-nitroaniline is diazotized, coupled with 3-hydroxy-n(2-oxy-5-benzimidazolinyl)-2-naphthylamide, and then pigmented.

purpose

mainly used for the coloring of synthetic fiber pulp, high-end coatings and plastics