structural formula

physical competition number	028t
molecular formula	c7h7n3o
molecular weight	149.15
label	5-amino-1,3-dihydro-2h-benzimidazol-2-one, 5-aminobenzimidazolones, 5-amino-1,3-dihydro-2h-benzimidazol-2-one

• 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:95-23-8

mdl number:mfcd00053555

einecs number:202-401-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: light yellow or white crystal.

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 239-244

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

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

p>

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, ºc): undetermined

12. saturated vapor pressure (kpa, ºc): 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) distribution coefficient: undetermined

17. explosion upper limit (%, v /v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 40.26

2. molar volume (cm³/mol): 109.3

3. isotonic specific volume (90.2k ): 302.0

4. surface tension (dyne/cm): 58.1

5. polarizability (10-24cm3): 15.96

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 3

6. topological molecule polar surface area 67.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 183

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

storage method

none

synthesis method

benzimidazolone is produced by solid-phase reaction of o-phenylenediamine and urea at 150-250°c to deaminate the hydrogen ring, and then undergoes nitration and reduction to obtain it.

purpose

mainly used to prepare yellow to orange organic pigments.

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