Introduction：Basic information about 4-Nitrobenzonitrile CAS 619-72-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Nitrobenzonitrile Basic informationApplication
| Product Name: | 4-Nitrobenzonitrile |
| Synonyms: | 4-Nitrobenzonitrile, 97+%;P-Nitro;1-Cyano-4-nitrobenzene;4-Nitrobenzoesαurenitril;4-nitro-benzonitril;Benzonitrile, p-nitro-;Benzonitrile,4-nitro-;p-Cyanonitrobenzene |
| CAS: | 619-72-7 |
| MF: | C7H4N2O2 |
| MW: | 148.12 |
| EINECS: | 210-610-0 |
| Product Categories: | blocks;Building Blocks;C6 to C7;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Carboxes;NitroCompounds;Aromatic Nitriles;Nitrile;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds |
| Mol File: | 619-72-7.mol |
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4-Nitrobenzonitrile Chemical Properties
| Melting point | 144-147 °C(lit.) |
| Boiling point | 268.69°C (rough estimate) |
| density | 1.4015 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 1.65g/l slightly soluble |
| form | Fine Crystalline Powder |
| color | Yellow |
| BRN | 972078 |
| InChI | InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
| InChIKey | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C([N+]([O-])=O)C=C1 |
| CAS DataBase Reference | 619-72-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzonitrile, 4-nitro-(619-72-7) |
| EPA Substance Registry System | Benzonitrile, 4-nitro- (619-72-7) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 23/24/25-36/37/38 |
| Safety Statements | 36/37/39-45-28A-36/37-22-26 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | DI4903500 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29269095 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation |
4-Nitrobenzonitrile Usage And Synthesis
| Application | p-Nitrobenzonitrile is a benzonitrile compound. Benzonitrile is a basic structural unit of many natural products, bioactive molecules, and drug molecules, and has a wide range of applications in psychotropic drugs. Benzonitrile compounds can also be used as intermediates in high-grade coatings such as benzoic acid melamine, as well as in the synthesis of pesticides, aliphatic amines, and benzoic acid. They can also be used as solvents in nitrile rubbers, resins, polymers, and coatings. |
| Chemical Properties | white to light yellow crystal powder |
| Preparation | A good alternative reagent for aromatic amines bearing electron-withdrawing substituents is sodium perborate in acetic acid. 4-Nitrobenzonitrile was prepared (91%) from 4-aminobenzonitrile with this reagent. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 40, p. 126, 1975 DOI: 10.1021/jo00889a034 |
4-Nitrobenzonitrile Preparation Products And Raw materials
| Raw materials | 4-Nitrobenzoic acid-->p-Toluenesulfonamide |
| Preparation Products | 4-Aminobenzamidine dihydrochloride-->DIMINAZENE ACETURATE-->4-NITROBENZAMIDINE, HYDROCHLORIDE-->4-N-BUTOXYBENZONITRILE-->1-(4-CYANOPHENYL)-2,5-DIMETHYLPYRROLE-->1,2-Bis(4-bromophenyl)diazene-->4-ETHOXYBENZONITRILE-->4-(METHYLSULFONYL)BENZONITRILE-->3-METHYL-4-NITROBENZONITRILE-->5-(4-NITRO-PHENYL)-2H-TETRAZOLE-->4-Aminobenzylamine-->DIMETHYL 4-HYDROXYISOPHTHALATE-->4-Cyanophenyl isocyanate-->ethyl 4-nitrobenzene-1-carboximidate hydrochloride |
