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