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3-Nitroacetophenone

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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
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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)
Flash point:
202°C
storage temp. 
Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
Crystalline Powder
color 
Yellow to yellow-green
Odor
Odorless
Water Solubility 
<0.01 g/100 mL at 20 ºC
BRN 
743002
Stability:
Stable. Incompatible with strong oxidizing agents, strong bases.
InChIKey
ARKIFHPFTHVKDT-UHFFFAOYSA-N
LogP
1.42
NIST Chemistry Reference
3-Nitroacetophenone(121-89-1)
EPA Substance Registry System
3-Nitroacetophenone (121-89-1)
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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 Data
121-89-1(Hazardous Substances Data)
Toxicity
mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689,

MSDS

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3-Nitroacetophenone Usage And Synthesis

Chemical Properties

white 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.

Uses

3''-Nitroacetophenone is used as a reactant in the synthesis of fluorine based aminothiazoles with antimicrobial activity.

Uses

3′-Nitroacetophenone can undergo high hydrostatic pressure-assisted reduction with Ni–Al alloy in water to form 1-(3-aminophenyl)ethanol.

Preparation

3-Nitroacetophenone is synthesized from acetophenone by nitration.
Synthesis of 3-nitroacetophenone

Production Methods

Acetophenone is carefully dissolved in concentrated sulfuric acid at 0 ℃, and mixed acid is added slowly below 0 ℃. The crude product is precipitated by quenching into ice, filtered, and washed acid free. Purification, mainly from the ortho isomer, is achieved by recrystallization from ethanol with significant lowering of the overall yield to ca. 55 %.

General Description

3-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 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

Flash point data for 3-Nitroacetophenone are not available, however 3-Nitroacetophenone is probably combustible.

Purification Methods

Distil the ketone in steam and crystallise it from EtOH. [Beilstein 7 IV 656.]

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