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121872-94-4

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121872-94-4 Usage

General Description

2'-Chloro-4',5'-difluoroacetophenone is a chemical compound that is commonly used in the synthesis of various pharmaceutical and agrochemical products. It is a white crystalline powder with a molecular formula of C8H5ClF2O and a molecular weight of 192.58 g/mol. 2'-Chloro-4',5'-difluoroacetophenone is known for its strong odor and is considered to be hazardous if inhaled or ingested. It is primarily used as an intermediate in the production of various drugs and pesticides. Additionally, it is also utilized in organic synthesis and as a reagent in chemical reactions. Its properties make it a useful compound in the field of organic chemistry and pharmaceutical development.

Check Digit Verification of cas no

The CAS Registry Mumber 121872-94-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,1,8,7 and 2 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 121872-94:
(8*1)+(7*2)+(6*1)+(5*8)+(4*7)+(3*2)+(2*9)+(1*4)=124
124 % 10 = 4
So 121872-94-4 is a valid CAS Registry Number.

121872-94-4 Well-known Company Product Price

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  • Alfa Aesar

  • (H31961)  2'-Chloro-4',5'-difluoroacetophenone, 95%   

  • 121872-94-4

  • 1g

  • 352.0CNY

  • Detail
  • Alfa Aesar

  • (H31961)  2'-Chloro-4',5'-difluoroacetophenone, 95%   

  • 121872-94-4

  • 10g

  • 2112.0CNY

  • Detail

121872-94-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2'-Chloro-4',5'-difluoroacetophenone

1.2 Other means of identification

Product number -
Other names 1-(2-Chloro-4,5-difluorophenyl)ethanone

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:121872-94-4 SDS

121872-94-4Synthetic route

4-chloro-1,2-difluorobenzene
696-02-6

4-chloro-1,2-difluorobenzene

acetyl chloride
75-36-5

acetyl chloride

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
aluminium trichloride82%
With aluminium trichloride Acylation;80%
With aluminium trichloride at 60℃; for 9h;75%
2-fluoro-5-chloronitrobenzene
345-18-6

2-fluoro-5-chloronitrobenzene

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: H2 / 5 percent Pt/C / 1,2-dimethoxy-ethane / 24 h / 2585.74 Torr
2: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C
3: 49 percent / 0.5 h / 170 °C
4: 80 percent / AlCl3
View Scheme
5-chloro-2-fluoroaniline
2106-05-0

5-chloro-2-fluoroaniline

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C
2: 49 percent / 0.5 h / 170 °C
3: 80 percent / AlCl3
View Scheme
2,5-dichloronitrobenzene
89-61-2

2,5-dichloronitrobenzene

potassium-compound of 1-<4-hydroxy-phenyl>-ethanone

potassium-compound of 1-<4-hydroxy-phenyl>-ethanone

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 52 percent / KF; 18-crown-6 / tetrahydrothiophene 1,1-dioxide / 32 h / 180 °C
2: H2 / 5 percent Pt/C / 1,2-dimethoxy-ethane / 24 h / 2585.74 Torr
3: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C
4: 49 percent / 0.5 h / 170 °C
5: 80 percent / AlCl3
View Scheme
2-Fluoro-5-chlorophenyldiazonium tetrafluoroborate

2-Fluoro-5-chlorophenyldiazonium tetrafluoroborate

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 49 percent / 0.5 h / 170 °C
2: 80 percent / AlCl3
View Scheme
ortho-difluorobenzene
367-11-3

ortho-difluorobenzene

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / FeCl3, Cl2 / 3 h / 50 °C
2: 75 percent / AlCl3 / 9 h / 60 °C
View Scheme
carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

methyl 3-(2-chloro-5-fluoro-4-methoxyphenyl)-3-oxopropanoate

methyl 3-(2-chloro-5-fluoro-4-methoxyphenyl)-3-oxopropanoate

Conditions
ConditionsYield
Stage #1: carbonic acid dimethyl ester With sodium hydride In tetrahydrofuran for 0.0833333h; Reflux;
Stage #2: 2'-chloro-4',5'-difluoroacetophenone In tetrahydrofuran for 10h; Claisen Condensation; Reflux;
96%
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

2-chloro-4,5-difluorobenzoic acid
110877-64-0

2-chloro-4,5-difluorobenzoic acid

Conditions
ConditionsYield
With sodium hypochlorite Oxidation;90%
With hydrogenchloride; sodium hypochlorite In dichloromethane85.1%
With hydrogenchloride; sodium hypochlorite In dichloromethane85.1%
With sodium hypochlorite for 6h; Heating;80%
With hydrogenchloride; sodium hydroxide; sodium hypobromide; bromine; sodium hydrogensulfite In 1,4-dioxane; dichloromethane; water
ethyl cyanoformate
623-49-4

ethyl cyanoformate

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

2-chloro-4,5-difluoro-β-oxobenzenepropanoic acid ethyl ester
121872-97-7

2-chloro-4,5-difluoro-β-oxobenzenepropanoic acid ethyl ester

Conditions
ConditionsYield
With hydrogenchloride; n-butyllithium; diisopropylamine In tetrahydrofuran; hexane658 mg (61%)
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

4-(2-chloro-5-fluoro-4-methoxyphenyl)-7-(diethylamino)-2H-chromen-2-one

4-(2-chloro-5-fluoro-4-methoxyphenyl)-7-(diethylamino)-2H-chromen-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux
1.2: 10 h / Reflux
2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere
View Scheme
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-chromen-2-one

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-chromen-2-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux
1.2: 10 h / Reflux
2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate / dichloromethane; tetrahydrofuran / 48 h / 105 °C / Sealed tube; Inert atmosphere
View Scheme
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-oxo-2H-chromene-3-carbaldehyde

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-oxo-2H-chromene-3-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux
1.2: 10 h / Reflux
2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate / dichloromethane; tetrahydrofuran / 48 h / 105 °C / Sealed tube; Inert atmosphere
4.1: trichlorophosphate / 0.75 h / 0 °C / Inert atmosphere
4.2: 20.5 h / 0 - 20 °C / Inert atmosphere
View Scheme
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

C8H3ClF2O2

C8H3ClF2O2

Conditions
ConditionsYield
With selenium(IV) oxide In 1,4-dioxane; water for 4h; Reflux;
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

(2-chloro-4,5-difluorophenyl)(9H-pyrido[3,4-b]indol-1 yl)methanone

(2-chloro-4,5-difluorophenyl)(9H-pyrido[3,4-b]indol-1 yl)methanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: selenium(IV) oxide / 1,4-dioxane; water / 4 h / Reflux
2: palladium 10% on activated carbon / acetic acid / 3 h / Reflux
View Scheme
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

4,5-difluoro fascaplysin

4,5-difluoro fascaplysin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: selenium(IV) oxide / 1,4-dioxane; water / 4 h / Reflux
2: palladium 10% on activated carbon / acetic acid / 3 h / Reflux
3: 220 °C
View Scheme
methylhydrazine
60-34-4

methylhydrazine

2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

C9H9ClF2N2

C9H9ClF2N2

Conditions
ConditionsYield
With magnesium sulfate In dichloromethane at 20℃;
2'-chloro-4',5'-difluoroacetophenone
121872-94-4

2'-chloro-4',5'-difluoroacetophenone

(E)-3-((2-(1-(2-chloro-4,5-difluorophenyl)ethylidene)-1-methylhydrazineyl)sulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

(E)-3-((2-(1-(2-chloro-4,5-difluorophenyl)ethylidene)-1-methylhydrazineyl)sulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: magnesium sulfate / dichloromethane / 20 °C
2: pyridine / tetrahydrofuran / 0 - 20 °C
View Scheme

121872-94-4Relevant articles and documents

Syntheses of 2-chloro-4,5-difluorobenzoic acid

Li, Zhibin,Huang, Naihua

, p. 245 - 246 (2007/10/03)

-

SYNTHESIS OF 2-HALO-4,5-DIFLUOROBENZOIC ACIDS

Braish, Tamim F.,Fox, Darrell E.

, p. 655 - 658 (2007/10/03)

-

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