2-Fluoro-6-nitrotoluene supplier

Name
2-Fluoro-6-nitrotoluene
EINECS 212-203-3
CAS No. 769-10-8
Article Data11
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point 6.5-7 ºC
Formula C₇H₆FNO₂
Boiling Point 224.3 ºC at 760 mmHg
Molecular Weight 155.129
Flash Point 88.9 ºC
Transport Information UN 2810
Appearance colorless to light yellow liquid
Safety 26-36-28-24/25
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 1-Fluor-2-methyl-3-nitrobenzene;Benzene, 1-fluoro-2-methyl-3-nitro-;
PSA 45.82000
LogP 2.56550

Synthetic route

: 95-52-3
2-Fluorotoluene

A: 455-88-9
5-nitro-2-fluorotoluene

B: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With nitric acid

: 2-methyl-3-nitrobenzenediazonium tetrafluoroborate

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With sand at 300℃;
at 250℃;

: 603-83-8
3-nitro-o-tolylamine

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Ueberfuehrung in das Diazopiperidid und Erhitzen mit Fluorwasserstoff-Fluorkalium;
(i) NaNO2, HBF4, (ii) (thermolysis); Multistep reaction;
(i) (diazotization), BF4-, (ii) (pyrolysis); Multistep reaction;
Stage #1: 3-nitro-o-tolylamine With sulfuric acid; sodium nitrite at 0 - 20℃; for 2h; Stage #2: With copper (I) fluoride Sandmeyer reaction; Further stages.;

: 95-52-3
2-Fluorotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With nitric acid

: 88-72-2
1-methyl-2-nitrobenzene

A: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

B: 1-(fluoromethyl)-2-nitrobenzene

Conditions

Conditions	Yield
With pyridine; hydrogen fluoride at 25℃; for 0.81h; electrochemical synthesis: Pt electrodes, applied potential 2.40 V, frequency square wave alternating current of 0.033 Hz, passed charge of 2.00 F mol-1; Yield given. Yields of byproduct given;

: 95-52-3
2-Fluorotoluene

: 7697-37-2
nitric acid

A: 455-88-9
5-nitro-2-fluorotoluene

B: 1427-07-2
2-fluoro-4-nitrotoluene

C: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

...Expand

6-nitro-toluenediazonium-(2)-tetrafluoroborate: 6-nitro-toluenediazonium-(2)-tetrafluoroborate

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
at 150 - 250℃;

: 606-20-2
2,6-dinitrotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 4>2S 2: (i) (diazotization), BF4-, (ii) (pyrolysis) View Scheme

: 19406-51-0
4-Amino-2,6-dinitrotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) (diazotization), (ii) (reduction) 2: 4>2S 3: (i) (diazotization), BF4-, (ii) (pyrolysis) View Scheme

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 1-fluoro-2-methyl-3,4-dinitro-benzene

Conditions

Conditions	Yield
With sulfuric acid; uronium nitrate at 0 - 20℃; Nitration;	94%

: 50-00-0
formaldehyd

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 118665-03-5
2-(2-fluoro-6-nitrophenyl)ethanol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; dimethyl sulfoxide for 72h; Ambient temperature;	89%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 3-fluoro-trans-2-[β-(dimethylamino)vinyl]nitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; N,N-dimethyl-formamide at 180℃; under 6000.6 - 7500.75 Torr; for 0.333333h; microwave irradiation;	85%
With triethylamine In N,N-dimethyl-formamide at 110℃; for 20h;

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 7443-25-6
dimethyl 2-(4-methoxybenzylidene)malonate

: 2-[2-(2-Fluoro-6-nitro-phenyl)-1-(4-methoxy-phenyl)-ethyl]-malonic acid dimethyl ester

Conditions

Conditions	Yield
With 4 A molecular sieve; tetrabutyl ammonium fluoride; potassium carbonate In tetrahydrofuran for 0.5h; Ambient temperature;	82%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 98-80-6
phenylboronic acid

: 3-fluoro-2-methyl-N-phenylaniline

Conditions

Conditions	Yield
With triethylphosphine In m-xylene at 120℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube;	82%

: 553-90-2
Dimethyl oxalate

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 912819-08-0
methyl 3-(2-fluoro-6-nitrophenyl)-2-oxopropanoate

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 25℃; for 19h;	80%
Stage #1: 1-fluoro-2-methyl-3-nitrobenzene With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: Dimethyl oxalate In N,N-dimethyl-formamide at 0 - 25℃; for 13h; Further stages.;	80%

: 123-75-1
pyrrolidine

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 344790-94-9
1-(2-(2-fluoro-6-nitrophenyl)vinyl)pyrrolidine

Conditions

Conditions	Yield
for 48h; Reflux;	80%
In N,N-dimethyl-formamide at 40 - 100℃; for 1h; Inert atmosphere;

...Expand

: 123-75-1
pyrrolidine

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 1-[(E)-2-(2-Fluoro-6-nitro-phenyl)-vinyl]-pyrrolidine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 3h; Heating;	77%

...Expand

PE: PE

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 118665-03-5
2-(2-fluoro-6-nitrophenyl)ethanol

Conditions

Conditions	Yield
With paraformaldehyde In dimethyl sulfoxide; ethyl acetate; SiO2; tert-butyl alcohol	71%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

polyoxymethylene: polyoxymethylene

: 118665-03-5
2-(2-fluoro-6-nitrophenyl)ethanol

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 70℃; for 1h; Inert atmosphere;	69%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 1958-93-6
2-(bromomethyl)-1-fluoro-3-nitrobenzene

Conditions

Conditions	Yield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 90℃; for 14h;	66%
	44%
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane Heating;	22%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 1644-82-2
2-fluoro-6-nitrobenzaldehyde

Conditions

Conditions	Yield
Stage #1: 1-fluoro-2-methyl-3-nitrobenzene; N,N-dimethyl-formamide dimethyl acetal at 135℃; for 12h; Stage #2: With sodium periodate In water; N,N-dimethyl-formamide at 20℃; for 3h;	23%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 95-92-1
oxalic acid diethyl ester

: 7593-91-1
3-(2-fluoro-6-nitrophenyl)-2-oxopropanoic acid

Conditions

Conditions	Yield
Stage #1: 1-fluoro-2-methyl-3-nitrobenzene; oxalic acid diethyl ester With ethanol; sodium for 0.75h; Reflux; Stage #2: With water In ethanol	21%

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 443-86-7
3-fluoro-2-methylaniline

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride
With hydrogenchloride; tin(ll) chloride
With hydrogenchloride; tin(ll) chloride at 0 - 50℃; for 2h;

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 385-02-4
6-fluoro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid
With potassium permanganate
Multi-step reaction with 3 steps 1: NBS, (PhCO)2O2 / CCl4 2: aq. Na2CO3 3: aq. H2SO4, K2Cr2O7 View Scheme
With potassium permanganate In water	11.81 g (40%)
With potassium permanganate; potassium carbonate In water

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 95-92-1
oxalic acid diethyl ester

: 399-68-8
4-fluoro-1H-indole-2-carboxylic acid

Conditions

Conditions	Yield
With diethyl ether; potassium ethoxide Behandeln des Reaktionsprodukts mit wss. NH3 unf FeSO4;
Stage #1: 1-fluoro-2-methyl-3-nitrobenzene; oxalic acid diethyl ester With sodium ethanolate In diethyl ether at 35 - 38℃; for 18h; Stage #2: With ferrous(II) sulfate heptahydrate In aq. ammonia; water

: 22630-08-6
tris(piperidino)-methane

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 387-43-9
4-fluoroindole

Conditions

Conditions	Yield
With iron; silica gel 1) 120 deg C, 3 h, under vacuum 2) 1 h reflux in toluene-acetic acid; Yield given. Multistep reaction;

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 95-92-1
oxalic acid diethyl ester

: ethyl (6-fluoro-2-nitrophenyl)pyruvate

Conditions

Conditions	Yield
With potassium ethoxide In ethanol for 6h; Heating;
Stage #1: oxalic acid diethyl ester With potassium tert-butylate In diethyl ether for 0.166667h; Stage #2: 1-fluoro-2-methyl-3-nitrobenzene In diethyl ether at 20℃;

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 7697-37-2
nitric acid

: 385-02-4
6-fluoro-2-nitrobenzoic acid

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 912819-11-5
methyl 3-(2-fluoro-6-nitrophenyl)-2-oxobut-3-enoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: NaH / dimethylformamide; various solvent(s) / 0.17 h / 0 °C 1.2: 80 percent / dimethylformamide; various solvent(s) / 13 h / 0 - 25 °C 2.1: NaH / tetrahydrofuran; various solvent(s) / 1 h / 0 °C 2.2: 74 percent / tetrahydrofuran; various solvent(s) / 12 h / 25 °C View Scheme
Multi-step reaction with 2 steps 1: 80 percent / sodium hydride / dimethylformamide / 19 h / 0 - 25 °C 2: 74 percent / sodium hydride / tetrahydrofuran / 13 h / 0 - 25 °C View Scheme

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: methyl 4-fluoro-1-hydroxy-3-(2-methyl-3-oxopentyl)-1H-indole-2-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: NaH / dimethylformamide; various solvent(s) / 0.17 h / 0 °C 1.2: 80 percent / dimethylformamide; various solvent(s) / 13 h / 0 - 25 °C 2.1: NaH / tetrahydrofuran; various solvent(s) / 1 h / 0 °C 2.2: 74 percent / tetrahydrofuran; various solvent(s) / 12 h / 25 °C 3.1: 61 percent / SnCl2*2H2O; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C View Scheme
Multi-step reaction with 3 steps 1: 80 percent / sodium hydride / dimethylformamide / 19 h / 0 - 25 °C 2: 74 percent / sodium hydride / tetrahydrofuran / 13 h / 0 - 25 °C 3: 61 percent / tin(II) chloride dihydrate; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C View Scheme

Yield

Multi-step reaction with 3 steps
1.1: NaH / dimethylformamide; various solvent(s) / 0.17 h / 0 °C
1.2: 80 percent / dimethylformamide; various solvent(s) / 13 h / 0 - 25 °C
2.1: NaH / tetrahydrofuran; various solvent(s) / 1 h / 0 °C
2.2: 74 percent / tetrahydrofuran; various solvent(s) / 12 h / 25 °C
3.1: 61 percent / SnCl2*2H2O; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C
View Scheme

Multi-step reaction with 3 steps
1: 80 percent / sodium hydride / dimethylformamide / 19 h / 0 - 25 °C
2: 74 percent / sodium hydride / tetrahydrofuran / 13 h / 0 - 25 °C
3: 61 percent / tin(II) chloride dihydrate; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C
View Scheme

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: methyl 4-fluoro-1-hydroxy-3-[(2-oxocyclohexyl)methyl]-1H-indole-2-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: NaH / dimethylformamide; various solvent(s) / 0.17 h / 0 °C 1.2: 80 percent / dimethylformamide; various solvent(s) / 13 h / 0 - 25 °C 2.1: NaH / tetrahydrofuran; various solvent(s) / 1 h / 0 °C 2.2: 74 percent / tetrahydrofuran; various solvent(s) / 12 h / 25 °C 3.1: 44 percent / SnCl2*2H2O; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C View Scheme
Multi-step reaction with 3 steps 1: 80 percent / sodium hydride / dimethylformamide / 19 h / 0 - 25 °C 2: 74 percent / sodium hydride / tetrahydrofuran / 13 h / 0 - 25 °C 3: 44 percent / tin(II) chloride dihydrate; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C View Scheme

Yield

Multi-step reaction with 3 steps
1.1: NaH / dimethylformamide; various solvent(s) / 0.17 h / 0 °C
1.2: 80 percent / dimethylformamide; various solvent(s) / 13 h / 0 - 25 °C
2.1: NaH / tetrahydrofuran; various solvent(s) / 1 h / 0 °C
2.2: 74 percent / tetrahydrofuran; various solvent(s) / 12 h / 25 °C
3.1: 44 percent / SnCl2*2H2O; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C
View Scheme

Multi-step reaction with 3 steps
1: 80 percent / sodium hydride / dimethylformamide / 19 h / 0 - 25 °C
2: 74 percent / sodium hydride / tetrahydrofuran / 13 h / 0 - 25 °C
3: 44 percent / tin(II) chloride dihydrate; molecular sieves 4 Angstroem / 1,2-dimethoxy-ethane / 1.5 h / 40 °C
View Scheme

2-Fluoro-6-nitrotoluene Specification

The 2-Fluoro-6-nitrotoluene, with the CAS registry number 769-10-8, is also known as Benzene, 1-fluoro-2-methyl-3-nitro-. It belongs to the product categories of Fluorides; Fluorin-Contained Toluene Series; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Fluorinated Benzene Series. Its EINECS registry number is 212-203-3. This chemical's molecular formula is C₇H₆FNO₂ and molecular weight is 155.13. What's more, both its IUPAC name and systematic name are the same which is called 1-Fluoro-2-methyl-3-nitrobenzene.

Physical properties about 2-Fluoro-6-nitrotoluene are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.61; (6)ACD/BCF (pH 7.4): 36.61; (7)ACD/KOC (pH 5.5): 458.02; (8)ACD/KOC (pH 7.4): 458.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.61 cm³; (15)Molar Volume: 121.7 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.274 g/cm³; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 44.21 kJ/mol; (20)Boiling Point: 224.3 °C at 760 mmHg; (21)Vapour Pressure: 0.137 mmHg at 25 °C.

Uses of 2-Fluoro-6-nitrotoluene: it is used to produce other chemicals. For example, it can react with Formaldehyde to get 2-(2-Fluoro-6-nitrophenyl)ethanol. This reaction needs reagent potassium hydroxide and solvent N,N-dimethyl-acetamide at temperature of 20 °C.

2-Fluoro-6-nitrotoluene can react with Formaldehyde to get 2-(2-Fluoro-6-nitrophenyl)ethanol.

When you are dealing with this chemical, you should be very careful. It is harmful by inhalation, in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc([N+]([O-])=O)c1C
(2) InChI: InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
(3) InChIKey: GXPIVRKDWZKIKZ-UHFFFAOYSA-N

Product Name

2-Fluoro-6-nitrotoluene

Synthetic route

2-Fluoro-6-nitrotoluene Specification

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