5-Nitrobenzimidazole 5-Nitrobenzimidazole
Structural formula
| Business number | 027T |
|---|---|
| Molecular formula | C7H5N3O2 |
| Molecular weight | 163.13 |
| label |
6-Nitrobenzimidazole, 5-nitro-1H-benzimidazole, 6-Nitrobenzimidazole, 6-Nitrobenzimidazole, 5-nitro-1H-Benzimidazole |
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.