3'-Nitroacetophenone supplier

Name
3-Nitroacetophenone
EINECS 204-504-3
CAS No. 121-89-1
Article Data158
CAS DataBase
Density 1.243 g/cm³
Solubility <0.01 g/100 mL at 20 °C in water
Melting Point 75-79 °C
Formula C₈H₇NO₃
Boiling Point 237.3 °C at 760 mmHg
Molecular Weight 165.148
Flash Point 99.9 °C
Transport Information
Appearance white to light beige crystalline powder
Safety 22-24/25
Risk Codes 21
Molecular Structure
Hazard Symbols Xn
Synonyms Acetophenone,3'-nitro- (8CI);(3-Nitrophenyl) methyl ketone;1-(3-Nitrophenyl)-1-ethanone;1-(3-Nitrophenyl)ethanone;1-Acetyl-3-nitrobenzene;3-Acetylnitrobenzene;Methyl 3-nitrophenyl ketone;NSC 5511;m-Acetylnitrobenzene;m-Nitroacetophenone;
PSA 62.89000
LogP 2.32060

Synthetic route

: 7471-32-1
m-nitroacetophenone oxime

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
Stage #1: m-nitroacetophenone oxime With hexachlorodisilane; silica gel In toluene at 110℃; for 4h; Stage #2: With water In toluene for 0.5h;	99%
With formic acid; silica gel for 0.0333333h; microwave irradiation;	94%
With zinc chlorochromate; montmorillonite K-10 at 20℃; for 1.5h;	88%

: 7369-50-8
3-ethylnitrobenzene

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With nickel-doped graphene carbon nitride nanoparticles; air In ethanol at 25℃; for 8h; Irradiation; Green chemistry;	98%
With oxygen In water at 25℃; for 1.5h;	94%
With cobalt(II) stearate; sodium carbonate; sodium hydroxide at 140 - 165℃; under 6000.6 Torr; for 20h; pH=7 - 8.5; Pressure; Temperature;	85.85%

: 72278-09-2
(E)-1-(3-mitrophenyl)ethan-1-one O-methyl oxime

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether at 20℃; for 12h;	98%

: 5400-78-2
1-(3-nitrophenyl)ethanol

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With modified o-iodoxybenzoic acid In tetrahydrofuran; water at 60℃; for 3h;	96%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium tert-butylate; copper(I) triflate; 5-[(2S)-pyrrolidine-2-yl]-1H-tetrazole In N,N-dimethyl-formamide at 25℃; for 1.5h; Catalytic behavior;	96%
With oxygen; pivalaldehyde; (Me4N)[Co(L)]*2H2O (L = o-phenylenebis(N'-methyloxamidate) In acetonitrile at 20℃; for 8h;	95%

: 645-00-1
m-iodonitrobenzene

: 6213-94-1
trimethylsiloxyethene

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With palladium diacetate; triethylamine; triphenylphosphine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20 - 100℃; for 2h; Heck Reaction; Microwave irradiation; regioselective reaction;	96%

: 5465-65-6
4-chloro-3-nitroacetophenone

: 75-61-6
dibromodifluoromethane

A: 133391-57-8
4-Trifluoromethyl-3-nitro-acetophenone

B: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With ISOPROPYLAMIDE; copper at 100℃; for 8h;	A 95% B 5%

...Expand

: 5758-02-1
N,N-Dimethyl-N'-[1-(3-nitro-phenyl)-eth-(E)-ylidene]-hydrazine

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With sodium perborate In acetic acid at 50 - 60℃; for 5h;	92%

: 2227-64-7
3'-nitro-2-bromoacetophenone

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With sodium disulfite; hydrogen bromide In acetic acid for 3h; Heating;	92%
With decaborane; palladium on activated charcoal In methanol at 20℃; for 12h;	91%
With bismuth(III) chloride; sodium tetrahydroborate In tetrahydrofuran for 4h; Ambient temperature;	90.9%

: 3034-94-4
3-nitrophenylacetylene

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With methanol; [Co((dimethylglyoximate)BF2)2•2H2O] at 65℃; for 49h; Sealed tube; Neutral conditions; regioselective reaction;	91%
With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h;	91%
With silver trifluoromethanesulfonate In water; acetic acid at 110℃; for 6h; Schlenk technique;	88%

: 98-86-2
acetophenone

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at -10℃; for 0.166667h; Temperature;	90.3%
With nitric acid; cetyltrimethylammonim bromide In acetonitrile at 24.84℃; for 2h; Micellar solution; regioselective reaction;	85%
With tetrammine copper(II) sulphate; nitric acid In dichloromethane; water at 20℃; for 2h; regioselective reaction;	85%

: 2-methyl-2-(3-nitrophenyl)-1,3-oxathiolane

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With eosin Y disodium salt In acetonitrile at 20℃; for 3h; Irradiation;	90%

: 77635-38-2
1-(3-nitro-phenyl)-ethanone-phenylhydrazone

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone at 20℃; for 2h;	87%

: 586-39-0
1-nitro-3-vinyl-benzene

A: 5400-78-2
1-(3-nitrophenyl)ethanol

B: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With triethylsilane; (1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyaninato)iron(II); oxygen In ethanol at 20℃; under 760.051 Torr; for 43h; Wacker Oxidation; Sealed tube; Green chemistry; chemoselective reaction;	A 12% B 84%

: 1426391-57-2
C27H23NO3

A: 519-73-3
triphenylmethane

B: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With iodine In neat (no solvent) at 85℃; for 2h;	A 83% B 81%

: 6655-77-2
3-nitrophenylsulfonohydrazide

: 75-05-8
acetonitrile

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With 1,10-Phenanthroline; water; palladium diacetate at 100℃; under 760.051 Torr; for 6h;	83%

: 2,2-dimethyl-5-(3-nitrobenzoyl)-1,3-dioxane-4,6-dione

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With hydrogenchloride; water for 0.0833333h; microwave irradiation;	80%
With hydrogenchloride for 4h; Heating; Yield given;

: 586-39-0
1-nitro-3-vinyl-benzene

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; air; (Pd(IiPr)Cl2)2; silver trifluoromethanesulfonate In methanol at 35℃; for 24h; Wacker oxidation;	79%
With manganese(IV) oxide; palladium dichloride In water; acetonitrile at 60℃; for 32h;	50%
With water; oxygen; palladium dichloride

: 98-95-3
nitrobenzene

: 75-36-5
acetyl chloride

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With zinc at 82 - 84℃; for 0.05h; Friedel-Crafts acylation; microwave irradiation;	79%
With iron(III) oxide at 20℃; for 0.25h; Friedel Crafts acylation; regioselective reaction;	69%

: 98-86-2
acetophenone

A: 577-59-3
2-acetylnitrobenzene

B: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 20℃; for 2h; Inert atmosphere;	A n/a B 77%
With aluminium trinitrate; acetic anhydride; scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 24h;	A 6% B 12%
With Nitrogen dioxide; ozone In dichloromethane at -10℃; Mechanism; Product distribution; var. time; other ketones and benzaldehyde;

: C18H23NO7

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With sulfuric acid; acetic acid In water Reflux;	76.3%

: 586-39-0
1-nitro-3-vinyl-benzene

A: 99-61-6
3-nitro-benzaldehyde

B: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With water; oxygen; copper(l) chloride In tetrahydrofuran at 20℃; for 48h; Reagent/catalyst; Wacker-Tsuji Olefin Oxidation;	A n/a B 76%

: 201230-82-2
carbon monoxide

: 594-27-4
tetramethylstannane

: 586-36-7
3-nitrophenyldiazonium tetrafluoroborate

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
palladium diacetate In acetonitrile under 6619.6 Torr; for 1.5h; Heating;	70%
With palladium diacetate In acetonitrile for 0.5h; Ambient temperature;	70%

...Expand

: 13331-27-6
m-nitrobenzene boronic acid

: 75-05-8
acetonitrile

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With 1,10-Phenanthroline; nickel(II) bromide 2-methoxyethyl ether complex; sodium hydrogencarbonate In water at 100℃; for 5h; Autoclave;	70%

: 13331-27-6
m-nitrobenzene boronic acid

: 105-56-6
ethyl 2-cyanoacetate

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine at 90℃; for 8h;	68%

: 645-00-1
m-iodonitrobenzene

: 121-44-8
triethylamine

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With water; oxygen; zinc(II) oxide In acetonitrile at 20℃; Irradiation;	66%

: 5758-02-1
m-Nitroacetophenone N,N-dimethylhydrazone

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; oxygen; pivalaldehyde; (NMe4)2[Ni(Me2opba)]*4H2O In fluorobenzene at 20℃; for 20h; Oxidation;	60%

: 13331-27-6
m-nitrobenzene boronic acid

: 108-24-7
acetic anhydride

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
chloro(ethylene)rhodium(I) dimer In 1,4-dioxane for 16h; Heating;	56%

: 99-03-6
1-(3-aminophenyl)ethanone

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In chloroform for 2h; Reflux;	55%

: 585-79-5
3-Bromonitrobenzene

: 121-44-8
triethylamine

: 121-89-1
3-Nitroacetophenone

Conditions

Conditions	Yield
With water; oxygen; zinc(II) oxide In acetonitrile at 20℃; Irradiation;	55%

: 121-89-1
3-Nitroacetophenone

: 99-03-6
1-(3-aminophenyl)ethanone

Conditions

Conditions	Yield
With cadmium sulphide; ammonium formate In water at 20℃; for 14h; Inert atmosphere; Irradiation; Sealed tube; chemoselective reaction;	100%
With water; oxalic acid; titanium(IV) oxide for 3h; Wavelength; Irradiation; Inert atmosphere; Sealed tube; Green chemistry; chemoselective reaction;	100%
With hydrogen In methanol at 70℃; under 3750.38 - 7500.75 Torr; for 4h; Temperature; Reagent/catalyst; Solvent;	99%

: 121-89-1
3-Nitroacetophenone

: 76116-24-0
(R)-1-(3-nitrophenyl)ethanol

Conditions

Conditions	Yield
With N,N'-bis[(1R,2R)-2-aminocyclohexyl]benzene-1,3-disulfonamide; water; sodium formate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer at 40℃; for 0.25h; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures; Reagents;	100%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; C22H32N4O4S2; isopropyl alcohol; potassium hydroxide at 40℃; for 5h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	95%
With (p-cymene)ruthenium(II) chloride; 1-butyl-3-({[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino}methyl)pyridin-1-ium bromide; sodium formate In water at 40 - 50℃; for 24h; Glovebox; Schlenk technique; Inert atmosphere; Green chemistry; enantioselective reaction;	89%

: 104-15-4
toluene-4-sulfonic acid

: 121-89-1
3-Nitroacetophenone

: 92554-40-0
α-tosyloxy-m-nitroacetophenone

Conditions

Conditions	Yield
With potassium peroxymonosulfate; 4-tolyl iodide In water; acetonitrile at 60℃; for 3h; Inert atmosphere;	100%
Stage #1: toluene-4-sulfonic acid With tert-butylbenzene; water; iodine; 3-chloro-benzenecarboperoxoic acid In 2,2,2-trifluoroethanol; acetonitrile at 20℃; Inert atmosphere; Stage #2: 3-Nitroacetophenone In 2,2,2-trifluoroethanol; acetonitrile at 60℃; for 5h; Inert atmosphere;	95%
With ammonium iodide; 3-chloro-benzenecarboperoxoic acid; benzene In 2,2,2-trifluoroethanol; acetonitrile at 20℃; for 23h;	92%

: 107-21-1
ethylene glycol

: 121-89-1
3-Nitroacetophenone

: 3418-27-7
2-bromomethyl-2-(3-nitrophenyl)-1,3-dioxolane

Conditions

Conditions	Yield
With N-Bromosuccinimide at 45℃; for 24h; Temperature;	100%
With pol(vinylphenyltrimethylammoniumtribromide) resin at 45℃; for 24h;	93%

: 107-21-1
ethylene glycol

: 121-89-1
3-Nitroacetophenone

: 2-chloromethyl-2-(3-nitrophenyl)-1,3-dioxolane

Conditions

Conditions	Yield
With N-chloro-succinimide at 20℃; for 24h;	100%

: 121-89-1
3-Nitroacetophenone

: 5400-78-2
1-(3-nitrophenyl)ethanol

Conditions

Conditions	Yield
With formic acid; C18H24ClIrN3 In water at 80℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction;	99%
Stage #1: 3-Nitroacetophenone With nickel boride In water; acetonitrile at 20℃; for 0.0833333h; Green chemistry; Stage #2: With sodium tetrahydroborate In water; acetonitrile at 20℃; for 0.0166667h; Green chemistry;	98%
With chloro-trimethyl-silane; tert-Amyl alcohol; sodium hydride; zinc(II) chloride In tetrahydrofuran at 63℃; for 0.5h;	97%

: 121-89-1
3-Nitroacetophenone

: 587-02-0
m-ethylaniline

Conditions

Conditions	Yield
With palladium 10% on activated carbon; water; hydrazine hydrate In ethanol at 100℃; for 24h; Reagent/catalyst;	99%
Stage #1: 3-Nitroacetophenone With hydrazine hydrate at 135℃; for 3h; Stage #2: With potassium hydroxide at 135℃; for 24h;	96.5%
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 70℃; under 3102.89 Torr; for 24h;	46%

: 762-04-9
phosphonic acid diethyl ester

: 121-89-1
3-Nitroacetophenone

: diethyl 1-hydroxy-1-(3-nitro)phenyl-ethylphosphonate

Conditions

Conditions	Yield
With n-butyllithium In neat (no solvent) at 10℃; for 0.0833333h; Catalytic behavior; Schlenk technique; Inert atmosphere;	99%
With C46H76N5Si2Sm In toluene at 20℃; Schlenk technique; Inert atmosphere;	96%
With 2C6H18NSi2(1-)C36H48N4(4-)2Nd(3+) In tetrahydrofuran at 20℃; for 0.333333h; Inert atmosphere;	94%

: 121-89-1
3-Nitroacetophenone

: 103966-65-0
(S)-1-(3-nitrophenyl)ethan-1-ol

Conditions

Conditions	Yield
With (R)-2,2',6,6'-tetramethoxy-4,4'-bis(di-3,5-dimethylphenylphosphine)3,3'-bipyridine; phenylsilane; cobalt(II) diacetate tetrahydrate In toluene at 40℃; for 24h; Molecular sieve; Under air; optical yield given as %ee; enantioselective reaction;	99%
With D-glucose In aq. phosphate buffer at 25℃; for 24h; pH=7.0; stereoselective reaction;	99%
Stage #1: 3-Nitroacetophenone With copper acetylacetonate; (S)-Xyl-P-Phos In toluene at -20℃; for 12h; Stage #2: With sodium hydroxide In water; toluene for 3h; optical yield given as %ee; stereoselective reaction;	95%

: 99-61-6
3-nitro-benzaldehyde

: 121-89-1
3-Nitroacetophenone

: 3-hydroxy-1,3-bis-(3-nitro-phenyl)-propan-1-one

Conditions

Conditions	Yield
With sodium phosphate In methanol at 25 - 32℃; for 0.166667h; ultrasonic irradiation;	99%

: 7677-24-9
trimethylsilyl cyanide

: 121-89-1
3-Nitroacetophenone

: 2-(3-nitrophenyl)-2-((trimethylsilyl)oxy)propanenitrile

Conditions

Conditions	Yield
With C29H46LaN3Si2 at 15℃; for 1h; Inert atmosphere; Glovebox; Schlenk technique;	99%
N,N,N',N'-tetramethylguanidine at 25℃; for 15h;	95%
With C48H40N8Sm(1-)*C16H32LiO4(1+) at 20℃; for 4h; Inert atmosphere; Schlenk technique;	86%
With [η5:η1-(2,5-Me2C4H2N)CH2CH2]2NLa[N(SiMe3)2]2 In neat (no solvent) at 20℃; for 2h; Inert atmosphere; Schlenk technique;	80%
With Li(2-(2,6-diisopropylphenylamino)-4-(2,6-diisopropylphenyl-imino)-2-pentene-H)(tetrahydtofuran) In tetrahydrofuran at 20℃; for 2h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; Glovebox;	98 %Spectr.

: 2942-58-7
diethyl cyanophosphonate

: 2408-36-8
lithium cyanide

: 121-89-1
3-Nitroacetophenone

: 1469462-86-9
1-cyano-1-(3-nitrophenyl)ethyl diethyl phosphate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.0833333h;	99%

...Expand

: 75-05-8
acetonitrile

: 620-23-5
m-tolyl aldehyde

: 121-89-1
3-Nitroacetophenone

: 1342806-10-3
β-acetamido-β-(3-methylphenyl)-3'-nitropropiophenone

Conditions

Conditions	Yield
With acetyl chloride; trifluoroacetic acid at 0 - 33℃; for 5h; Dakin-West reaction;	98.6%

...Expand

: 593-56-6
N-methoxylamine hydrochloride

: 121-89-1
3-Nitroacetophenone

: m-nitroacetophenone O-methyloxime

Conditions

Conditions	Yield
With pyridine In methanol; toluene at 25℃; for 3h;	98.5%
In ethanol; water at 20℃; for 4.75h; Heating / reflux;	83.2%
With pyridine In ethanol at 60℃; for 6h;
With pyridine In ethanol at 60℃; for 6h;

: 555-16-8
4-nitrobenzaldehdye

: 121-89-1
3-Nitroacetophenone

: 131497-22-8
4,3'-dinitro-trans-chalcone

Conditions

Conditions	Yield
With chloro-trimethyl-silane; palladium on activated charcoal In N,N-dimethyl-formamide at 75℃; for 5h;	98%
With methanol; sodium methylate
	1.2 gm (63%)
	1.2 gm (63%)

: 121-89-1
3-Nitroacetophenone

: 2454-37-7
3-(1-hydroxyethyl)aniline

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 30℃; for 5h; chemoselective reaction;	98%
With hydrogen In ethanol at 20℃; for 5h;	98%
With sodium tetrahydroborate; antimony(III) fluoride In water; acetonitrile at 20℃; for 0.0833333h;	95%

: 100-52-7
benzaldehyde

: 121-89-1
3-Nitroacetophenone

: 16619-21-9
3'-nitro-chalcone

Conditions

Conditions	Yield
With sulfonated carbon In benzene Heating;	98%
With sodium hydroxide In ethanol; water at 20℃; for 3h; Cooling with ice;	94%
With sodium hydroxide In ethanol at 20℃; for 2h;	92%

: 874-42-0
2,4-dichlorobenzaldeyhde

: 121-89-1
3-Nitroacetophenone

: 3-(2,4-dichloro-phenyl)-3-hydroxy-1-(3-nitro-phenyl)-propan-1-one

Conditions

Conditions	Yield
With sodium phosphate In methanol at 25 - 32℃; for 3.91667h; ultrasonic irradiation;	98%

: 121-89-1
3-Nitroacetophenone

: 87974-55-8
(E)-1-(3-nitrophenyl)ethan-1-one oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 20℃; for 24h; pH=9; Cooling with ice;	98%
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 0 - 20℃; for 24h; pH=9;	98%
Stage #1: 3-Nitroacetophenone With calcium oxide Heating; Stage #2: With hydroxylamine hydrochloride

: 2942-58-7
diethyl cyanophosphonate

: 121-89-1
3-Nitroacetophenone

: 1469462-86-9
1-cyano-1-(3-nitrophenyl)ethyl diethyl phosphate

Conditions

Conditions	Yield
With 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In toluene at 20℃; for 4h; Inert atmosphere;	98%

: 103-71-9
phenyl isocyanate

: 121-89-1
3-Nitroacetophenone

: 2-(1-(3-nitrophenyl)ethylidene)-N-phenylhydrazine-1-carboxamide

Conditions

Conditions	Yield
Stage #1: 3-Nitroacetophenone With hydrazine hydrate In methanol for 0.5h; Stage #2: phenyl isocyanate In methanol	98%

: 670-54-2
ethenetetracarbonitrile

: 121-89-1
3-Nitroacetophenone

: 4-(3-nitrophenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In neat (no solvent) at 50 - 60℃; Green chemistry;	98%

: 121-89-1
3-Nitroacetophenone

: 5340-12-5
1,2-bis(1-(3-nitrophenyl)ethylidene)hydrazine

Conditions

Conditions	Yield
With carbazic acid at 60℃; for 24h; Neat (no solvent);	97%
With ethanol; sodium carbonate; hydrazinium sulfate
With ethanol; hydrazine
With hydrazine hydrate; acetic acid In ethanol at 75℃;
With hydrazine hydrate; acetic acid In ethanol at 75℃;

: 121-89-1
3-Nitroacetophenone

: 2227-64-7
3'-nitro-2-bromoacetophenone

Conditions

Conditions	Yield
With aluminum (III) chloride; bromine In diethyl ether at 0 - 20℃; for 1h;	97%
With aluminum (III) chloride; bromine In diethyl ether at 0 - 20℃; for 1h;	97%
With aluminum (III) chloride; bromine In diethyl ether at 0 - 20℃; for 1h;	97%

: 584-13-4
4-amino-1,2,4-triazole

: 121-89-1
3-Nitroacetophenone

: 117979-27-8
(E)-N-<1-(3-nitrophenyl)ethylidene>-4H-1,2,4-triazol-4-amine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 24h; Heating;	97%

: 947-95-5
5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole

: 121-89-1
3-Nitroacetophenone

: 1252881-71-2
C19H14ClN3O3

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 0 - 5℃;	97%

: 3171-45-7
4,5-dimethyl-1,2-phenylenediamine

: 121-89-1
3-Nitroacetophenone

: 1369787-55-2
2,4-bis(3-nitrophenyl)-2,7,8-trimethyl-2,3-dihydro-1H-benzo[b][1,4]diazepine

Conditions

Conditions	Yield
With chitosan-supported Fe3O4 nanoparticle In ethanol at 20℃; for 1.5h; Green chemistry;	97%

3'-Nitroacetophenone Consensus Reports

Reported in EPA TSCA Inventory.

3'-Nitroacetophenone Specification

The IUPAC name of 3-Nitroacetophenone is 1-(3-nitrophenyl)ethanone. With the CAS registry number 121-89-1 and EINECS 204-504-3, it is also named as (3-Nitrophenyl) methyl ketone. The product's categories are Aromatic Acetophenones & Derivatives (substituted); API Intermediates; C7 to C8; Carbonyl Compounds; Ketones. It is white to light beige crystalline powder which is soluble in hot water and ether, slightly soluble in ethanol. In addition, this chemical is stable and incompatible with strong oxidizing agents, strong bases. When heated to decomposition it emits toxic fumes of NO_x.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.99; (6)ACD/BCF (pH 7.4): 7.99; (7)ACD/KOC (pH 5.5): 154.01; (8)ACD/KOC (pH 7.4): 154.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 42.82 cm³; (14)Molar Volume: 132.8 cm³; (15)Polarizability: 16.97×10^-24 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Enthalpy of Vaporization: 47.41 kJ/mol; (18)Vapour Pressure: 0.0452 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 2; (21)Exact Mass: 165.042593; (22)MonoIsotopic Mass: 165.042593; (23)Topological Polar Surface Area: 62.9; (24)Heavy Atom Count: 12; (25)Complexity: 197.

Preparation of 3-Nitroacetophenone: It is synthesized from acetophenone by nitration.

Uses of 3-Nitroacetophenone: It is used as raw material and intermediate in organic synthesis. It also can react with 1-(3-nitro-phenyl)-ethanone to get 3,3'-dinitro-trans-chalcone. This reaction needs reagent NaOH and solvents ethanol, H₂O. The reaction time is 3 hours. The yield is 91%.

When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin, so people should not breathe dust and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. Smiles:c1(cc(ccc1)[N+](=O)[O-])C(C)=O
2. InChI:InChI=1/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	National Technical Information Service. Vol. AD277-689,
rabbit	LD50	skin	3mL/kg (3mL/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	oral	3250mg/kg (3250mg/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Product Name

3-Nitroacetophenone

Synthetic route

3'-Nitroacetophenone Consensus Reports

3'-Nitroacetophenone Specification

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