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350-31-2

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350-31-2 Usage

General Description

4-Chloro-3-fluoronitrobenzene is a chemical compound with the molecular formula C6H3ClFNO2. It is a yellow crystalline solid that is used as an intermediate in the production of pharmaceuticals, agrochemicals, and dyes. The compound is classified as a fluoroaromatic compound, containing both a chloro and a nitro group in the benzene ring. It is primarily used as a building block in the synthesis of various organic compounds, and its chemical properties make it valuable in a range of industrial applications. However, it is important to handle 4-Chloro-3-fluoronitrobenzene with care, as it is considered hazardous to human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 350-31-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,5 and 0 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 350-31:
(5*3)+(4*5)+(3*0)+(2*3)+(1*1)=42
42 % 10 = 2
So 350-31-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H3ClFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

350-31-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chloro-2-fluoro-4-nitrobenzene

1.2 Other means of identification

Product number -
Other names Benzene, 1-chloro-2-fluoro-4-nitro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:350-31-2 SDS

350-31-2Synthetic route

2-fluoro-4-nitrophenol
403-19-0

2-fluoro-4-nitrophenol

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
With para-tert-butylphenol; phosphorus pentachloride 1.) 130-140 deg C, 2 h, 2.) 230-240 deg C, 40 min;61%
4-chlorobenzonitrile
100-00-5

4-chlorobenzonitrile

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
With formic acid; fluorine at 10℃; for 1.75h; Fluorination;44%
With sulfuric acid; fluorine
1-chloro-2-fluorobenzene
348-51-6

1-chloro-2-fluorobenzene

A

3-chloro-4-fluoronitrobenzene
350-30-1

3-chloro-4-fluoronitrobenzene

B

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
With nitric acid at 0℃;
With sulfuric acid; nitric acid at 0℃; for 0.5h; other reagent: nitric acid/acetic anhydride/zeolite H(1+)β; Yield given; Yields of byproduct given. Title compound not separated from byproducts;
With molecular sieve; nitric acid; acetic anhydride at 0℃; for 3h; other reagent: nitric acid/sulfuric acid; Yield given; Yields of byproduct given. Title compound not separated from byproducts;
4-chloro-3-fluoroaniline
367-22-6

4-chloro-3-fluoroaniline

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
With sulfuric acid at -5℃; Diazotization.Behandeln der Diazoniumsalz-Loesung mit Natriumnitrit und Kupfer(I)-kupfer(II)-sulfit in Wasser;
1-chloro-2-fluorobenzene
348-51-6

1-chloro-2-fluorobenzene

nitric acid
7697-37-2

nitric acid

A

3-chloro-4-fluoronitrobenzene
350-30-1

3-chloro-4-fluoronitrobenzene

B

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
at 0℃;
N-(3-fluorophenyl)acetamide
351-28-0

N-(3-fluorophenyl)acetamide

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium dicarbonate; hydrochloric acid; calcium chloride.
2: hydrochloric acid / Bei Kochen mit 20prozentiger Saeure
3: diluted sulfuric acid / -5 °C / Diazotization.Behandeln der Diazoniumsalz-Loesung mit Natriumnitrit und Kupfer(I)-kupfer(II)-sulfit in Wasser
View Scheme
N-(4-chloro-3-fluorophenyl)acetamide
351-31-5

N-(4-chloro-3-fluorophenyl)acetamide

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrochloric acid / Bei Kochen mit 20prozentiger Saeure
2: diluted sulfuric acid / -5 °C / Diazotization.Behandeln der Diazoniumsalz-Loesung mit Natriumnitrit und Kupfer(I)-kupfer(II)-sulfit in Wasser
View Scheme
morpholine
110-91-8

morpholine

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

3-fluoro-4-(4-morpholinyl)nitrobenzene
2689-39-6

3-fluoro-4-(4-morpholinyl)nitrobenzene

Conditions
ConditionsYield
Neat (no solvent);100%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

sodium thiophenolate
930-69-8

sodium thiophenolate

3-fluoro-4-(phenylthio)nitrobenzene
147696-80-8

3-fluoro-4-(phenylthio)nitrobenzene

Conditions
ConditionsYield
In methanol for 5h; Ambient temperature;78%
2-oxa-6-azaspiro[3.4]octane hemioxalate
220290-68-6

2-oxa-6-azaspiro[3.4]octane hemioxalate

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

6-(2-fluoro-4-nitrophenyl)-2-oxa-6-azaspiro[3.4]octane

6-(2-fluoro-4-nitrophenyl)-2-oxa-6-azaspiro[3.4]octane

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24.25h; Inert atmosphere;76%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

ethylene glycol
107-21-1

ethylene glycol

2-(2-fluoro-4-nitrophenoxy)ethan-1-ol
647858-19-3

2-(2-fluoro-4-nitrophenoxy)ethan-1-ol

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 12h;72.2%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

phenylmethanethiol
100-53-8

phenylmethanethiol

1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene
1242618-52-5

1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 12h;62%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

8-oxa-3-azabicyclo[3.2.1]octane hydrochloride
54745-74-3

8-oxa-3-azabicyclo[3.2.1]octane hydrochloride

3-(2-fluoro-4-nitrophenyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2-fluoro-4-nitrophenyl)-8-oxa-3-azabicyclo[3.2.1]octane

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24.25h; Inert atmosphere; Sealed tube;39%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

sodium methylate
124-41-4

sodium methylate

A

2-fluoro-1-methoxy-4-nitrobenzene
455-93-6

2-fluoro-1-methoxy-4-nitrobenzene

B

2-chloro-5-nitroanisole
1009-36-5

2-chloro-5-nitroanisole

Conditions
ConditionsYield
In methanol for 12h; Heating;A 37%
B 22%
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

sodium methylate
124-41-4

sodium methylate

3,4-dimethoxynitrobenzene
709-09-1

3,4-dimethoxynitrobenzene

Conditions
ConditionsYield
at 80℃;
at 80℃;
o-hydroxymethyl thiophenol
4521-31-7

o-hydroxymethyl thiophenol

1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

[2-(2-Fluoro-4-nitro-phenylsulfanyl)-phenyl]-methanol
73129-14-3

[2-(2-Fluoro-4-nitro-phenylsulfanyl)-phenyl]-methanol

Conditions
ConditionsYield
With copper; potassium carbonate at 160 - 170℃;
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

[2-(4-Chloro-2-fluoro-phenylsulfanyl)-phenyl]-methanol
73129-18-7

[2-(4-Chloro-2-fluoro-phenylsulfanyl)-phenyl]-methanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Cu, K2CO3 / 160 - 170 °C
2: aq. HCl, Fe / ethanol
3: (i) NaNO2, aq. HCl, (ii) CuCl
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

[2-(4-Amino-2-fluoro-phenylsulfanyl)-phenyl]-methanol
73129-16-5

[2-(4-Amino-2-fluoro-phenylsulfanyl)-phenyl]-methanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Cu, K2CO3 / 160 - 170 °C
2: aq. HCl, Fe / ethanol
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

linezolid

linezolid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / o-xylene / Reflux
4.2: 15 h / 90 °C / Inert atmosphere
5.1: 15 h / 20 °C
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

linezolid
165800-03-3

linezolid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / o-xylene / 1 h / Reflux
5.1: hydrogenchloride; water / 0.25 h / 20 °C
5.2: pH 8 - 9
6.1: dichloromethane; water / 1 h / 20 °C
6.2: pH 9 / cooling with ice
View Scheme
Multi-step reaction with 4 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: sodium hydrogencarbonate / water
4: n-butyllithium
View Scheme
Multi-step reaction with 4 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
4: Tributylphosphine oxide; lithium bromide / o-xylene
View Scheme
Multi-step reaction with 6 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / toluene / 1 h / Inert atmosphere; Reflux
5.1: hydrogenchloride / dichloromethane; water / 1 h / 20 °C
5.2: pH 7 / cooling with ice
6.1: dichloromethane; water / 1 h / 20 °C
6.2: pH 9 / cooling with ice
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine
168828-90-8

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / o-xylene / 1 h / Reflux
5.1: hydrogenchloride; water / 0.25 h / 20 °C
5.2: pH 8 - 9
View Scheme
Multi-step reaction with 5 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / toluene / 1 h / Inert atmosphere; Reflux
5.1: hydrogenchloride / dichloromethane; water / 1 h / 20 °C
5.2: pH 7 / cooling with ice
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate
168828-81-7, 1027135-00-7

benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: sodium hydrogencarbonate / water
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

3-fluoro-4-(morpholin-4-yl)-phenyl isocyanate
224323-51-7

3-fluoro-4-(morpholin-4-yl)-phenyl isocyanate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

3-fluoro-4-(morpholinyl)aniline
93246-53-8

3-fluoro-4-(morpholinyl)aniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

(5S)-(N)-[[(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl]methyl]amine hydrochloride

(5S)-(N)-[[(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl]methyl]amine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
4: Tributylphosphine oxide; lithium bromide / o-xylene / 1 h / Reflux
5: hydrogenchloride; ethanol / ethyl acetate / 45 °C
View Scheme
Multi-step reaction with 5 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / toluene / 1 h / Inert atmosphere; Reflux
5.1: hydrogenchloride; water / dichloromethane / 0.5 h / 20 °C
5.2: pH 8 - 9
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

(S)-(E,Z)-5-((benzylideneamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one
1330034-71-3

(S)-(E,Z)-5-((benzylideneamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
4: Tributylphosphine oxide; lithium bromide / o-xylene / 1 h / Reflux
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

(S)-(E,Z)-5-((4-chlorobenzylideneamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one
1345879-82-4

(S)-(E,Z)-5-((4-chlorobenzylideneamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
4: Tributylphosphine oxide; lithium bromide / toluene / 1 h / Inert atmosphere; Reflux
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

A

C14H16BrFN2O3

C14H16BrFN2O3

B

(S)-5-(chloromethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolid-2-one
1345879-89-1

(S)-5-(chloromethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolid-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: Neat (no solvent)
2: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3: toluene / -20 °C / Inert atmosphere; Reflux
4: Tributylphosphine oxide; lithium bromide / o-xylene / Reflux
View Scheme
1-chloro-2-fluoro-4-nitrobenzene
350-31-2

1-chloro-2-fluoro-4-nitrobenzene

(S)-5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolin-2-one
1345879-91-5

(S)-5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolin-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: Neat (no solvent)
2.1: ammonium formate / palladium 10% on activated carbon / tetrahydrofuran; methanol / 20 °C / Inert atmosphere; cooling with ice
3.1: toluene / -20 °C / Inert atmosphere; Reflux
4.1: Tributylphosphine oxide; lithium bromide / o-xylene / Reflux
4.2: 15 h / 90 °C / Inert atmosphere
View Scheme

350-31-2Relevant articles and documents

PROCESSES FOR PREPARING LINEZOLID

-

Example 2, (2011/11/13)

Processes and intermediates for preparing linezolid, and pharmaceutically acceptable salts thereof, are described herein.

A novel method for the nitration of simple aromatic compounds

Smith, Keith,Musson, Adam,DeBoos, Gareth A.

, p. 8448 - 8454 (2007/10/03)

Simple aromatic compounds such as benzene, alkylbenzenes, halogenobenzenes, and some disubstituted benzenes are nitrated in excellent yields with high regioselectivity under mild conditions using zeolite β as a catalyst and a stoichiometric quantity of nitric acid and acetic anhydride. The zeolite can be recycled, and the only byproduct is acetic acid, which can be separated easily from the nitration product by distillation; the process is inexpensive and represents an attractive method for the clean synthesis of a range of nitroaromatic compounds. For example, nitration of toluene gives a quantitative yield of mononitrotoluenes, of which 79% is 4-nitrotoluene; fluorobenzene gives a quantitative yield of mononitro compounds, of which 94% is 4-nitrofluorobenzene; and 2-fluorotoluene gives a 96% yield of mononitro products, of which 90% is the 5-nitro isomer and 10% is the 4-nitro isomer.

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