Introduction：Basic information about 5-Nitroanthranilonitrile CAS 17420-30-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
5-Nitroanthranilonitrile Basic information
| Product Name: | 5-Nitroanthranilonitrile |
| Synonyms: | 2-Cyan-4-nitroaniline;2-cyano-4-nitro-anilin;2-kyan-4-nitroanilin;5-NITROANTHRANILONITRILE;5-nitro-anthranilonitril;2-amino-5-nitro-benzonitril;2-CYANO-4-NITROANILINE;2-AMINO-5-NITROBENZONITRILE |
| CAS: | 17420-30-3 |
| MF: | C7H5N3O2 |
| MW: | 163.13 |
| EINECS: | 241-446-8 |
| Product Categories: | Aromatic Nitriles;Building Blocks;C6 to C7;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks;john's |
| Mol File: | 17420-30-3.mol |
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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) |
| pka | -1.97±0.10(Predicted) |
| form | Solid |
| 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) |
Safety Information
| 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 routestarts from 6-nitroisatoic anhydride [2H-3,1-benzoxazine-6-nitro-2,4 (1H)-dione]: the latter isconverted into 2-amino-5-nitrobenzonitrile byreaction with ammonia, subsequent treatmentwith phosgene in dimethylformamide or Nmethylpyrrolidone, followed by hydrolysis ofthe formamidine.
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| 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
| Raw materials | 2-Chlorobenzonitrile-->2-Chloro-5-nitrobenzonitrile-->2,2,2-TRIFLUORO-N-(4-NITRO-2-IODOPHENYL)ACETAMIDE-->3-(hydroxyamino)-5-nitroindol-2-one-->1-Pyrrolidinecarbodithioic acid, azanyl ester-->Benzonitrile, 2-amino-3-nitro--->2,5-Diaminobenzonitrile-->2-Iodo-4-nitroaniline-->5-Nitroisatin-->4-Amino-3-nitrobenzonitrile |
| Preparation Products | 6-Nitro-quinazolin-4-ylamine-->EHT 5372-->2-IODO-5-NITROBENZOIC ACID-->2-Amino-5-nitrobenzophenone-->[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate-->C.I.Disperse Violet 40-->Disperse Red 82-->Disperse Red 107-->Disperse Red 73 |
