1,2,3-Trifluoro-4-nitrobenzene supplier

Name
1,2,3-Trifluoro-4-nitrobenzene
EINECS 212-238-4
CAS No. 771-69-7
Article Data12
CAS DataBase
Density 1.554 g/cm³
Solubility
Melting Point
Formula C₆H₂F₃NO₂
Boiling Point 201.8 °C at 760 mmHg
Molecular Weight 177.083
Flash Point 87 °C
Transport Information UN 2810
Appearance clear yellow liquid after melting
Safety 26-36/37/39-24/25
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 2,3,4-Trifluoro-1-nitrobenzene;2,3,4-Trifluoronitrobenzene;4-Nitro-1,2,3-trifluorobenzene;2.3.4-Dichloronitrobenzeme;
PSA 45.82000
LogP 2.53530

Synthetic route

: 17700-09-3
4-nitro-1,2,3-trichlorobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Stage #1: 4-nitro-1,2,3-trichlorobenzene With potassium fluoride; tetrabutylammomium bromide In dimethyl sulfoxide at 75 - 80℃; for 4h; Stage #2: With potassium fluoride; tetrabutyl ammonium fluoride In dimethyl sulfoxide at 75 - 180℃; for 12h; Time;	99.7%

: 2268-05-5
1,3-dichloro-2-fluorobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Stage #1: 1,3-dichloro-2-fluorobenzene With sulfuric acid; nitric acid at 20 - 25℃; for 2.5h; Stage #2: With sulfolane; potassium fluoride for 5h;	85.5%
Multi-step reaction with 2 steps 1: sulfuric acid; aqueous nitric acid / 40 °C 2: dimethylformamide; potassium fluoride / 150 °C View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 2 h / Heating 2: sulfolane; potassium fluoride / 8 h / 200 - 210 °C View Scheme

: 393-79-3
1,3-dichloro-2-fluoro-4-nitrobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
With potassium fluoride at 160 - 165℃; for 7h; Time;	85%
With potassium fluoride; immobilized pyridinium salt In sulfolane at 180℃; for 2h;	68%
With potassium fluoride; N,N-dimethyl-formamide at 150℃;
With sulfolane; potassium fluoride at 200 - 210℃; for 8h; Temperature;	124 g

: 1489-53-8
1,2,3-trifluorobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

: 163733-96-8
3,4,5-trifluoro aniline

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran View Scheme

: anhydrous ethylene glycol dimethyl ether

trimethyl(ethoxypolyoxypropylmethyl ether)ammonium chloride: trimethyl(ethoxypolyoxypropylmethyl ether)ammonium chloride

: 393-79-3
1,3-dichloro-2-fluoro-4-nitrobenzene

: 3115-68-2
tetrabutyl phosphonium bromide

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
With potassium fluoride In 5,5-dimethyl-1,3-cyclohexadiene

...Expand

: 95-50-1
1,2-dichloro-benzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: nitric acid; sulfuric acid / 2 h / 95 - 100 °C 2.1: potassium fluoride / 3 h / 140 - 150 °C 3.1: chlorine / 180 - 190 °C 4.1: nitric acid; sulfuric acid / 2.5 h / 20 - 25 °C 4.2: 5 h View Scheme

: 3209-22-1
1,2-Dichloro-3-nitrobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: potassium fluoride / 3 h / 140 - 150 °C 2.1: chlorine / 180 - 190 °C 3.1: nitric acid; sulfuric acid / 2.5 h / 20 - 25 °C 3.2: 5 h View Scheme

: 2106-49-2
1-chloro-2-fluoro-3-nitrobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: chlorine / 180 - 190 °C 2.1: nitric acid; sulfuric acid / 2.5 h / 20 - 25 °C 2.2: 5 h View Scheme

: 20098-48-0
3,4,5-trichloronitrobenzen

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride / 11 h / 140 - 175 °C 2.1: hydrogen / methanol / Inert atmosphere 3.1: nitrosylsulfuric acid / 6 h / 10 - 15 °C 3.2: 1 h 4.1: sulfuric acid; nitric acid / 2 h / Heating 5.1: sulfolane; potassium fluoride / 8 h / 200 - 210 °C View Scheme

: 3107-19-5
3,5-dichloro-4-fluoro-nitrobenzene

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: hydrogen / methanol / Inert atmosphere 2.1: nitrosylsulfuric acid / 6 h / 10 - 15 °C 2.2: 1 h 3.1: sulfuric acid; nitric acid / 2 h / Heating 4.1: sulfolane; potassium fluoride / 8 h / 200 - 210 °C View Scheme

: 2729-34-2
3,5-dichloro-4-fluorophenylamine

: 771-69-7
2,3,4-trifluoronitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: nitrosylsulfuric acid / 6 h / 10 - 15 °C 1.2: 1 h 2.1: sulfuric acid; nitric acid / 2 h / Heating 3.1: sulfolane; potassium fluoride / 8 h / 200 - 210 °C View Scheme

: 75-77-4
chloro-trimethyl-silane

: 771-69-7
2,3,4-trifluoronitrobenzene

: 2,3,4-trifluoro-5-(trimethylsilyl)nitrobenzene

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at -78℃;	100%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: 129798-33-0
(R)-3,4-difluoro-2-(2,3-isopropylidenedioxypropoxy)nitrobenzene

Conditions

Conditions	Yield
With potassium hydroxide In water; toluene	100%

: 626-41-5
3,5-dibromophenol

: 771-69-7
2,3,4-trifluoronitrobenzene

: 930786-23-5
C12H5Br2F2NO3

Conditions

Conditions	Yield
With sodium t-butanolate In tetrahydrofuran at 0 - 20℃;	100%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 62-53-3
aniline

: 1393178-31-8
(2,3-Difluoro-6-nitro-phenyl)-phenylamine

Conditions

Conditions	Yield
Stage #1: aniline With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.166667h; Inert atmosphere; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at -78℃; for 0.5h; Stage #3: With water In tetrahydrofuran	100%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 124-41-4
sodium methylate

: 155020-44-3
2-fluoro-1,3-dimethoxy-4-nitrobenzene

Conditions

Conditions	Yield
In methanol Ambient temperature;	99%
In methanol at 4 - 20℃; for 0.5h;	99%
In methanol at 0 - 20℃;	98%
In methanol at 0 - 20℃;	80%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 74-89-5
methylamine

: 170432-54-9
2,3-difluoro-N-methyl-6-nitroaniline

Conditions

Conditions	Yield
In tetrahydrofuran at 40℃; for 18h;	99%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 3862-73-5
2,3,4-trifluoroaniline

Conditions

Conditions	Yield
With sodium hypophosphite monohydrate; 1% platinum on charcoal; hydrogen at 65 - 80℃; under 6750.68 Torr; for 2.75h; Reagent/catalyst; Temperature; Autoclave;	98.52%
With hydrogen; nickel Autoclave;	91.8%
With iron; ammonium chloride

: 1658-27-1
1,5-dioxaspiro[5.5]undecane-2,4-dione

: 771-69-7
2,3,4-trifluoronitrobenzene

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: C15H13F2NO6*C8H19N

Conditions

Conditions	Yield
In acetonitrile at 45℃; for 20h;	98%

...Expand

: 771-69-7
2,3,4-trifluoronitrobenzene

: 55346-93-5
1,2,3-Trifluoro-4,6-dinitrobenzene

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; tris(trifluoromethanesulfonyloxy)boron; nitric acid at 65℃; for 6h;	96%
With sulfuric acid; potassium nitrate	91%
With sulfuric acid; nitric acid at 80℃; for 2h;	84.2%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 251940-05-3
1-(4-fluoro-phenyl)-2-(tetrahydro-pyrimidin-2-ylidene)-ethanone

: 6-fluoro-10-(4-fluorobenzoyl)-9-nitro-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Conditions

Conditions	Yield
Stage #1: 2,3,4-trifluoronitrobenzene; 1-(4-fluoro-phenyl)-2-(tetrahydro-pyrimidin-2-ylidene)-ethanone With sodium carbonate In 1,4-dioxane at 80℃; for 4h; Stage #2: With caesium carbonate In 1,4-dioxane for 3h; Reflux;	93%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 82100-30-9
1-phenyl-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one

: 10-benzoyl-6-fluoro-9-nitro-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Conditions

Conditions	Yield
Stage #1: 2,3,4-trifluoronitrobenzene; 1-phenyl-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one With potassium carbonate In 1,4-dioxane at 80℃; for 3h; Stage #2: With caesium carbonate In 1,4-dioxane for 3h; Reflux;	93%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 211693-73-1
2-amino-3,4-difluoronitro-benzene

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 20℃; for 8h;	91.2%
With ammonia In methanol at 70℃; for 1.5h; Microwave irradiation;	73%
With ammonia In methanol at 70℃; for 1.5h; Microwave irradiation;	35.6%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 89401-28-5
(2R)-1-(benzyloxy)propan-2-ol

: (R)-2-(1-benzyloxyisopropoxy)-3,4-difluoronitrobenzene

Conditions

Conditions	Yield
With potassium hydroxide; potassium carbonate In water; toluene	91%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 141-97-9
ethyl acetoacetate

: 121247-16-3
1-(2,3-difluoro-6-nitrophenyl)propan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid In tetrahydrofuran; water	90%
Stage #1: ethyl acetoacetate With potassium tert-butylate In tetrahydrofuran at 11 - 25℃; for 1h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 10 - 21℃; for 3.08333h; Stage #3: With sulfuric acid In acetic acid at 70℃; for 3h; Heating / reflux;	82%
With acetic acid In tetrahydrofuran; hydrogenchloride	72%
With acetic acid In tetrahydrofuran; hydrogenchloride	72%
With sodium hydride Yield given. Multistep reaction;

: 771-69-7
2,3,4-trifluoronitrobenzene

: 770719-09-0
3-chloro-5-[(2,3-difluoro-6-nitrophenyl)oxy]benzonitrile

Conditions

Conditions	Yield
Stage #1: 3-chloro-5-hydroxybenzonitrile With sodium t-butanolate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 0℃; for 3.5h;	89%
Stage #1: 3-bromo-5-chlorophenol With sodium t-butanolate In tetrahydrofuran at 0℃; for 1h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 0℃; Stage #3: With hydrogenchloride In tetrahydrofuran; water for 1h;	82%
Stage #1: 3-chloro-5-hydroxybenzonitrile With sodium t-butanolate In tetrahydrofuran at 0℃; for 1h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 0℃;	82%
Stage #1: 3-chloro-5-hydroxybenzonitrile With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.333333h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 20℃; for 2h;

: 473923-97-6
3-chloro-5-hydroxybenzonitrile

: 771-69-7
2,3,4-trifluoronitrobenzene

: 770719-09-0
3-chloro-5-[(2,3-difluoro-6-nitrophenyl)oxy]benzonitrile

Conditions

Conditions	Yield
Stage #1: 3-chloro-5-hydroxybenzonitrile With sodium t-butanolate In tetrahydrofuran at 0℃; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 0 - 20℃;	89%
With sodium t-butanolate In tetrahydrofuran at 0℃; for 1h;	82%
Stage #1: 3-chloro-5-hydroxybenzonitrile With sodium t-butanolate In tetrahydrofuran at 0℃; for 1h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at 0℃; Stage #3: With hydrogenchloride; water In tetrahydrofuran for 1h;	82%

: 67-56-1
methanol

: 771-69-7
2,3,4-trifluoronitrobenzene

: 155020-44-3
2-fluoro-1,3-dimethoxy-4-nitrobenzene

Conditions

Conditions	Yield
With sodium methylate for 48h; Reflux;	89%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 141-97-9
ethyl acetoacetate

A: 288385-96-6
1,2-difluoro-3-(2,2-dimethoxypropyl)-4-nitrobenzene

B: 121247-16-3
1-(2,3-difluoro-6-nitrophenyl)propan-2-one

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; hydrogenchloride	A 88% B 72%

...Expand

: 771-69-7
2,3,4-trifluoronitrobenzene

: 866959-42-4
3,4-difluoro-2-(3,5-bis-tert-butylcarbamoyl-phenoxy)nitrobenzene

Conditions

Conditions	Yield
Stage #1: N,N'-di-tert-butyl-5-hydroxy-isophthalamide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran at -35 - 30℃; for 21h;	88%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 107165-84-4
1-(4-methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one

: 6-fluoro-10-(4-methoxybenzoyl)-9-nitro-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Conditions

Conditions	Yield
Stage #1: 2,3,4-trifluoronitrobenzene; 1-(4-methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one With triethylamine In 1,4-dioxane at 60℃; for 5h; Stage #2: With caesium carbonate In 1,4-dioxane for 3h; Reflux;	87%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 82419-26-9
2,3-difluoro-6-nitrophenol

Conditions

Conditions	Yield
With potassium hydroxide; sulfuric acid In water	86%
With potassium hydroxide In water; dimethyl sulfoxide at 18 - 20℃; for 2h;	29%
With potassium hydroxide In water; dimethyl sulfoxide
With potassium hydroxide In dimethyl sulfoxide at 15 - 17℃; for 3h;	38.8g

: 109-01-3
1-methyl-piperazine

: 771-69-7
2,3,4-trifluoronitrobenzene

: 1-(2,3-difluoro-4-nitrophenyl)-4-methylpiperazine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 0℃; for 1h;	86%

: 2380-84-9
7-Indolol

: 771-69-7
2,3,4-trifluoronitrobenzene

: 770718-79-1
C14H8F2N2O3

Conditions

Conditions	Yield
With sodium t-butanolate In tetrahydrofuran at 0℃; for 2h;	84%
Stage #1: 7-Indolol With sodium t-butanolate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: 2,3,4-trifluoronitrobenzene In tetrahydrofuran	84%

methanolic ammonia: methanolic ammonia

: 771-69-7
2,3,4-trifluoronitrobenzene

: 211693-73-1
2-amino-3,4-difluoronitro-benzene

Conditions

Conditions	Yield
In ethyl acetate	84%

: 771-69-7
2,3,4-trifluoronitrobenzene

: 184110-41-6
(R)-(-)-2-(1-ethoxyethoxy)-1-propanol

: (R)-2-[2-(1-ethoxyethoxy)propoxy]-3,4-difluoronitrobenzene

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; water	82%
With potassium hydroxide; potassium carbonate In water; toluene	6.7%

: 874974-85-3
3-(difluoromethyl)-5-hydroxybenzonitrile

: 771-69-7
2,3,4-trifluoronitrobenzene

: 1068603-76-8
3-difluoromethyl-5-(2,3-difluoro-6-nitro-phenoxy)-benzonitrile

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-5-hydroxybenzonitrile; 2,3,4-trifluoronitrobenzene With potassium carbonate In tetrahydrofuran at 0℃; Stage #2: With acetic acid In tetrahydrofuran at 0 - 5℃; Product distribution / selectivity;	80%

1,2,3-Trifluoro-4-nitrobenzene Chemical Properties

The molecular formula of 1,2,3-Trifluoro-4-nitrobenzene(771-69-7) is C₆H₂F₃NO₂ and its formula weight is 177.08.
The density of 1,2,3-Trifluoro-4-nitrobenzene(771-69-7) is 1.541 g/mL at 25 °C(lit.) and it has a boiling point of 92 °C 20 mm Hg(lit.). The refractive index is about 1.492(lit.). Its flash point is 200 °F.
The chemical synonyms of 1,2,3-Trifluoro-4-nitrobenzene(771-69-7) are 4-NITRO-1,2,3-Trifluorobenzene;1,2,3-TRIFLUORO-4-NITROBENZENE;1,2,3-Trifluoro-4-nitrobenzene;2,3,4-TRIFLUORO-1-NITROBENZENE;3,4,5 TRIFLUORONITROBENZEN;2,3,4-TrifluorNITROBENZENE;4-chloro-2-fluroaniline;2,3,4-TRIFLUORONITROBRNZENE
The molecular structure of 1,2,3-Trifluoro-4-nitrobenzene(771-69-7):

1,2,3-Trifluoro-4-nitrobenzene Uses

Used as intermediates of drug ofloxacin, lomefloxacin, danofloxacin fluorine.

1,2,3-Trifluoro-4-nitrobenzene Toxicity Data With Reference

RTECS#: CAS# 771-69-7: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: 1,2,3-Trifluoro-4-nitrobenzene - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.

1,2,3-Trifluoro-4-nitrobenzene Safety Profile

Safety Statements :
S26: In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S24/25: Avoid contact with skin and eyes

Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36/37/39-24/25
RIDADR UN2810
WGK Germany 3
Hazard Note Irritant
HazardClass 6.1
PackingGroup III

1,2,3-Trifluoro-4-nitrobenzene Specification

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization Has not been reported.

Product Name

1,2,3-Trifluoro-4-nitrobenzene

Synthetic route

1,2,3-Trifluoro-4-nitrobenzene Chemical Properties

1,2,3-Trifluoro-4-nitrobenzene Uses

1,2,3-Trifluoro-4-nitrobenzene Toxicity Data With Reference

1,2,3-Trifluoro-4-nitrobenzene Safety Profile

1,2,3-Trifluoro-4-nitrobenzene Specification

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