ChemicalBook--->CAS DataBase List--->577-59-3

577-59-3

577-59-3 Structure

577-59-3 Structure
IdentificationMore
[Name]

2-Nitroacetophenone
[CAS]

577-59-3
[Synonyms]

1-(2-nitrophenyl)ethanone
1-(3-NITROPHENYL)ETHANONE
2'-NITROACETOPHENONE
2-NITROACETOPHENONE
3'-NITROACETOPHENONE
3-NITROACETOPHENONE
AKOS 233-65
AKOS BBS-00003220
AURORA 14018
ETHANONE, 1-(2-NITROPHENYL)-
LABOTEST-BB LT01895210
M-NITROACETOPHENONE
O-NITROACETOPHENONE
o-nitrophenyl methyl ketone
1-(2-nitrophenyl)-ethanon
2’-nitro-acetophenon
2-acetylnitrobenzene
Acetophenone, 2'-nitro-
Methyl 2-nitrophenyl ketone
methyl2-nitrophenylketone
[EINECS(EC#)]

209-414-8
[Molecular Formula]

C8H7NO3
[MDL Number]

MFCD00007259
[Molecular Weight]

165.15
[MOL File]

577-59-3.mol
Chemical PropertiesBack Directory
[Appearance]

yellow-green liquid or crystals
[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
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

Insoluble
[FreezingPoint ]

24.0 to 28.0 ℃
[BRN ]

1102322
[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]

577-59-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

AM9625000
[Hazard Note ]

Harmful
[TSCA ]

Yes
[HS Code ]

29147090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

AIBN-->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
Hazard InformationBack Directory
[General Description]

Clear yellow liquid. 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.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

yellow-green liquid or crystals
[Uses]

2''-Nitroacetophenone (cas# 577-59-3) is a compound useful in organic synthesis.
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

o-Nitrophenyl methyl ketone(577-59-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-Nitroacetophenone(577-59-3)MS
2-Nitroacetophenone(577-59-3)1HNMR
2-Nitroacetophenone(577-59-3)13CNMR
2-Nitroacetophenone(577-59-3)IR1
2-Nitroacetophenone(577-59-3)IR2
2-Nitroacetophenone(577-59-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

o-Nitroacetophenone, 95%(577-59-3)
[Alfa Aesar]

2'-Nitroacetophenone, 97%(577-59-3)
[Sigma Aldrich]

577-59-3(sigmaaldrich)
[TCI AMERICA]

2'-Nitroacetophenone,>95.0%(GC)(577-59-3)
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