3-Nitroacetophenone

3-Nitroacetophenone
  • CAS No.:121-89-1
Other grades of this product :
3-Nitroacetophenone Basic information
Product Name:3-Nitroacetophenone
Synonyms:3'-NITROACETOPHENONE;3-NITROACETOPHENONE;1-Acetyl-3-nitrobenzene;3’-nitro-acetophenon;(3-Nitrophenyl) methyl ketone;(3-nitrophenyl)methylketone;1-(3-nitrophenyl)-ethanon;AKOS BBS-00003220
CAS:121-89-1
MF:C8H7NO3
MW:165.15
EINECS:204-504-3
Product Categories:C7 to C8;Carbonyl Compounds;Ketones;Building Blocks;C7 to C8;Carbonyl Compounds;Aromatic Acetophenones & Derivatives (substituted);API intermediates;Chemical Synthesis;Organic Building Blocks;J's
Mol File:121-89-1.mol
3-Nitroacetophenone Chemical Properties
Melting point 76-78 °C(lit.)
Boiling point 202 °C(lit.)
density 1.3450 (rough estimate)
vapor pressure 0.32Pa at 25℃
refractive index 1.5468 (estimate)
Fp 202°C
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
form Crystalline Powder
color Yellow to yellow-green
OdorOdorless
Water Solubility <0.01 g/100 mL at 20 ºC
BRN 743002
Stability:Stable. Incompatible with strong oxidizing agents, strong bases.
InChIKeyARKIFHPFTHVKDT-UHFFFAOYSA-N
LogP1.42
NIST Chemistry Reference3-Nitroacetophenone(121-89-1)
EPA Substance Registry System3-Nitroacetophenone (121-89-1)
Safety Information
Hazard Codes Xn
Risk Statements 21
Safety Statements 22-24/25
WGK Germany 2
RTECS AM9625000
TSCA Yes
HS Code 29147090
Hazardous Substances Data121-89-1(Hazardous Substances Data)
MSDS Information
ProviderLanguage
1-(3-Nitrophenyl)ethanone English
SigmaAldrich English
ACROS English
ALFA English
3-Nitroacetophenone Usage And Synthesis
Chemical Propertieswhite to light beige crystalline powder or yellow needle-like crystals. soluble in hot water and ether, slightly soluble in ethanol. can be volatile with water vapor.
Uses3''-Nitroacetophenone is used as a reactant in the synthesis of fluorine based aminothiazoles with antimicrobial activity.
Uses3′-Nitroacetophenone can undergo high hydrostatic pressure-assisted reduction with Ni–Al alloy in water to form 1-(3-aminophenyl)ethanol.
Preparation3-Nitroacetophenone is synthesized from acetophenone by nitration.Synthesis of 3-nitroacetophenone
General Description3-nitroacetophenone is a light beige powder. It is an anthropogenic compound which is used as a synthetic intermediate in the production of dyes and other organic compounds. (NTP, 1992)
Air & Water ReactionsInsoluble in water.
Reactivity ProfileA 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 HazardFlash point data for 3-Nitroacetophenone are not available, however 3-Nitroacetophenone is probably combustible.
Purification MethodsDistil the ketone in steam and crystallise it from EtOH. [Beilstein 7 IV 656.]

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