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| | 5-Nitroanthranilonitrile Basic information |
| | 5-Nitroanthranilonitrile Chemical Properties |
| Melting point | 200-207 °C(lit.) | | Boiling point | 290.19°C (rough estimate) | | density | 1.4141 (rough estimate) | | refractive index | 1.5500 (estimate) | | Fp | 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 | | InChI | InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2 | | InChIKey | MGCGMYPNXAFGFA-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC([N+]([O-])=O)=CC=C1N | | CAS DataBase Reference | 17420-30-3(CAS DataBase Reference) | | EPA Substance Registry System | Benzonitrile, 2-amino-5-nitro- (17420-30-3) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 22-24/25-36-26 | | WGK Germany | 2 | | RTECS | BX2500000 | | TSCA | TSCA listed | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Toxicity | mouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986. |
| | 5-Nitroanthranilonitrile Usage And Synthesis |
| 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 | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 11, p. 2589 - 2593 |
| | 5-Nitroanthranilonitrile Preparation Products And Raw materials |
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