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100-19-6

Basic Information
CAS No.: 100-19-6
Name: Ethanone,1-(4-nitrophenyl)-
Molecular Structure:
Molecular Structure of 100-19-6 (Ethanone,1-(4-nitrophenyl)-)
Formula: C8H7NO3
Molecular Weight: 165.16
Synonyms: Acetophenone,4'-nitro- (8CI);Acetophenone, p-nitro- (3CI);1-(4-Nitrophenyl)ethan-1-one;1-(4-Nitrophenyl)ethanone;1-Acetyl-4-nitrobenzene;4-Acetylnitrobenzene;4-Nitrophenyl methyl ketone;Methyl 4-nitrophenyl ketone;Methyl p-nitrophenyl ketone;NSC 41590;p-Acetylnitrobenzene;p-Nitroacetophenone;p-Nitrophenyl methyl ketone;
EINECS: 202-827-4
Density: 1.244 g/cm3
Melting Point: 75-78 °C(lit.)
Boiling Point: 275.39 °C at 760 mmHg
Flash Point: 129.398 °C
Solubility: Insoluble in water.
Appearance: Yellow crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 36-22
Safety: 22-24/25
Transport Information:
PSA: 62.89000
LogP: 2.32060
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Chemistry

IUPAC Name: 1-(4-Nitrophenyl)ethanone 
Product Categories: Aromatic Acetophenones & Derivatives (substituted);C7 to C8;Carbonyl Compounds;Ketones
Synonyms of p-Nitroacetophenone (CAS NO.100-19-6): 4'-Nitroacetophenone ; 4-Nitroacetophenone ; Ethanone, 1-(4-nitrophenyl)- ; Methyl-p-nitrophenyl ketone ; Paranitroacetophenone ; p-Acetylnitrobenzene ; p-Nitrophenyl methyl ketone ; Acetophenone, 4'-nitro- ; Ethanone, 1-(4-nitrophenyl)- (9CI)
CAS NO: 100-19-6
Molecular Formula: C8H7NO3
Molecular Weight : 165.1461
Molecular Structure:
EINECS: 202-827-4
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 62.89 Å2
Index of Refraction: 1.558
Molar Refractivity: 42.82 cm3
Molar Volume: 132.8 cm3
Surface Tension: 47.1 dyne/cm
Density: 1.243 g/cm3
Flash Point: 129.4 °C
Enthalpy of Vaporization: 51.38 kJ/mol
Boiling Point: 275.4 °C at 760 mmHg
Vapour Pressure: 0.00511 mmHg at 25°C
Melting Point: 75-78 °C(lit.)
Appearance: P-Nitroacetophenone (CAS NO.100-19-6) is yellow prisms or bright yellow powder.
Solubility: Insoluble in water,soluble in hot ethanol, ether and benzene.

Uses

 P-Nitroacetophenone (CAS NO.100-19-6) is used as intermediate of pharmaceutical Chloramphenicol and dye intermediate.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 36-22
R22: Harmful if swallowed. 
R36: Irritating to eyes.
Safety Statements: 22-24/25
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: AM9627000
Hazard Note: Harmful
HS Code: 29147090
Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 p-Nitroacetophenone (CAS NO.100-19-6) is a nitrated ketone which is 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 also react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides.