5-nitrobenzimidazole 5-nitrobenzimidazole

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:94-52-0

mdl number:mfcd00005604

einecs number:202-341-2

rtecs number:dd9800000

brn number:7926

pubchem id:none

physical property data

1. properties: light yellow powder.

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 207-210

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

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

11. vapor pressure (mmhg, 25ºc): 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

1. acute toxicity: rat oral ldlo: 500mg/kg;

2. chronic toxicity/carcinogenicity

mouse oral tdlo: 160mg/kg/78w -c; mouse oral td: 79mg/kg/78w-c;

3. mutagenicity

mutation of microorganism salmonella typhimurium: 33μg/plate;

ecological data

slightly harmful to water.

molecular structure data

1. molar refractive index: 43.16

2. molar volume (cm³/mol): 106.9

3. isotonic specific volume (90.2k ): 320.3

4. surface tension (dyne/cm): 80.5

5. polarizability (10-24cm3): 17.11

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: 2

6. topological molecular polarity tablearea 74.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 192

10 .the number of isotope atoms: 0

11. the number of determined atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with oxides.

storage method

stored sealed in a cool, dry place. make sure the workspace has good ventilation. keep away from sources of fire and store away from oxidizing agents.

synthesis method

none

purpose

it is used as a sensitive reagent for the determination of bismuth, cadmium, copper, etc. and as a rubber antioxidant. it is also used in the preparation of pesticides. used as photographic material.