Introduction：Basic information about 2-Nitroacetophenone CAS 577-59-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Nitroacetophenone Basic information
| Product Name: | 2-Nitroacetophenone |
| Synonyms: | Neighboring nitrobenzene ethyl ketone;2’-nitro-acetophenon;AKOS BBS-00003220;1-(2-nitrophenyl)ethanone;2-NITROACETOPHENONE;LABOTEST-BB LT01895210;AURORA 14018;ETHANONE, 1-(2-NITROPHENYL)- |
| CAS: | 577-59-3 |
| MF: | C8H7NO3 |
| MW: | 165.15 |
| EINECS: | 209-414-8 |
| Product Categories: | Aromatic Acetophenones & Derivatives (substituted);Aromatics;C7 to C8;Carbonyl Compounds;Ketones;Miscellaneous Reagents;Carbonyl Compounds;pharmaceutical intermediates |
| Mol File: | 577-59-3.mol |
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2-Nitroacetophenone Chemical Properties
| Melting point | 76-78 °C(lit.) |
| Boiling point | 202 °C(lit.) |
| density | 1.23 |
| refractive index | n20/D 1.55(lit.) |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Ethyl Acetate |
| form | Solid |
| color | Brown |
| Water Solubility | Insoluble |
| FreezingPoint | 24.0 to 28.0 ℃ |
| BRN | 1102322 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3 |
| InChIKey | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccccc1[N+]([O-])=O |
| CAS DataBase Reference | 577-59-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Ethanone, 1-(2-nitrophenyl)-(577-59-3) |
| EPA Substance Registry System | 2-Nitroacetophenone (577-59-3) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| RTECS | AM9625000 |
| Hazard Note | Harmful |
| TSCA | TSCA listed |
| HS Code | 29147090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral |
2-Nitroacetophenone Usage And Synthesis
| Chemical Properties | yellow-green liquid or crystals. Soluble in alcohol, ether and chloroform, slightly soluble in water. |
| Uses | 2'-Nitroacetophenone is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuff. It is also used as a synthetic reagent. It is the sensitizer which can be used as pharmaceutical intermediates. |
| Uses | 2''-Nitroacetophenone (cas# 577-59-3) is a compound useful in organic synthesis. It is also used as an intermediate for photosensitive materials.? |
| Preparation | o-Nitroacetophenone is synthesized from o-nitroethylbenzene by oxidation. Add o-nitroethylbenzene, decanoic acid and initiator azobisisobutyronitrile into the reaction tower, and at the same time slowly pass air into the tower, keep the pressure at 0.3-0.8MPa, and control the oxidation at 120-130°C to generate 2-Nitroacetophenone. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 43, p. 3631, 1978 DOI: 10.1021/jo00412a058
Journal of the American Chemical Society, 105, p. 943, 1983 DOI: 10.1021/ja00342a050
Synthesis, p. 228, 1988 DOI: 10.1055/s-1988-27522 |
| General Description | Clear yellow liquid. Insoluble in water. |
| Air & Water Reactions | Insoluble in water. |
| Reactivity Profile | A nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. |
| Fire Hazard | 2-Nitroacetophenone is combustible. |
2-Nitroacetophenone Preparation Products And Raw materials
| Raw materials | ABIN-->Decanoic acid-->2-Ethylnitrobenzene-->1-Iodo-2-nitrobenzene-->1-ETHYNYL-2-NITRO-BENZENE-->VINYLOXYTRIMETHYLSILANE |
| Preparation Products | 3-Nitroacetophenone-->3-(diMethylaMino)-1-(3-nitrophenyl)prop-2-en-1-one-->Phosphoramidous acid. N.N-bis(1-methylethyl)-. 2-cyanoethyl [1-(2-nitrophenyl)ethyl] ester)-->Benzenemethanamine, α-methyl-2-nitro-, (αS)--->3-[4-(DIMETHYLAMINO)PHENYL]-1-(2-NITROPHENYL)PROP-2-EN-1-ONE-->5-Chloro-3-methylbenzo[c]isoxazole |
