5-Nitroanthranilonitrile
Synonym(s):2-Cyano-4-nitroaniline;5-Nitroanthranilonitrile
- CAS NO.：17420-30-3
- Empirical Formula: C7H5N3O2
- Molecular Weight: 163.13
- MDL number: MFCD00007362
- EINECS: 241-446-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-21 14:55:28
What is 5-Nitroanthranilonitrile?
Chemical properties
yellow to brownish powder. 2-Amino-5-nitrobenzonitrile [17420-30-3], 2-cyano-4-nitroaniline, Mr 163.13, mp 210℃, is readily soluble in acetone, chloroform, and benzene; it is sparingly soluble in water and ethanol. As already mentioned, the reaction of 2-chloro5-nitrobenzonitrile with ammonia gives 2-amino-5-nitrobenzonitrile, an intermediate for azo dyes.
Production Methods
A newer synthetic route
starts from 6-nitroisatoic anhydride [2H-3,1-benzoxazine-6-nitro-2,4 (1H)-dione]: the latter is
converted into 2-amino-5-nitrobenzonitrile by
reaction with ammonia, subsequent treatment
with phosgene in dimethylformamide or Nmethylpyrrolidone, followed by hydrolysis of
the formamidine.
Synthesis Reference(s)
Journal of the American Chemical Society, 82, p. 3152, 1960 DOI: 10.1021/ja01497a043
Properties of 5-Nitroanthranilonitrile
| Melting point: | 200-207 °C(lit.) |
| Boiling point: | 290.19°C (rough estimate) |
| Density | 1.4141 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Flash point: | 234 °C |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly) |
| form | Solid |
| pka | -1.97±0.10(Predicted) |
| color | Dark Yellow |
| BRN | 1425714 |
| CAS DataBase Reference | 17420-30-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 2-amino-5-nitro- (17420-30-3) |
Safety information for 5-Nitroanthranilonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 5-Nitroanthranilonitrile
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