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121872-94-4

Basic Information
CAS No.: 121872-94-4
Name: Ethanone,1-(2-chloro-4,5-difluorophenyl)-
Molecular Structure:
Molecular Structure of 121872-94-4 (Ethanone,1-(2-chloro-4,5-difluorophenyl)-)
Formula: C8H5ClF2O
Molecular Weight: 190.57
Synonyms: 2-CHLORO-4,5-DIFLUOROACETOPHENONE;2-CHLORO-4,5-DIFLUOROACETOPHENONE;2-CHLORO-4,5-DIFLUOROPHENYLACETOPHENONE;2-chloro-4,5-difluoroacetophenonedup 21889;2-CHLORO-4,5-DIFLUOROPHENYLACETONE;2'-Chloro-4',5'-difluoroacetophenone;Ethanone, 1-(2-chloro-4,5-difluorophenyl)-;2-Chloro-4,5-difluroacetophenone
EINECS:
Density: 1.348 g/cm3
Melting Point:
Boiling Point: 211.409 °C at 760 mmHg
Flash Point: 81.657 °C
Solubility:
Appearance: clear, yellow liquid
Hazard Symbols: IrritantXi
Risk Codes:
Safety:
Transport Information:
PSA: 17.07000
LogP: 2.82080
Synthetic route
696-02-6

4-chloro-1,2-difluorobenzene

75-36-5

acetyl chloride

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%
345-18-6

2-fluoro-5-chloronitrobenzene

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
2106-05-0

5-chloro-2-fluoroaniline

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
89-61-2

2,5-dichloronitrobenzene

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

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

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

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
367-11-3

ortho-difluorobenzene

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
616-38-6

carbonic acid dimethyl ester

121872-94-4

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

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%
121872-94-4

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

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
623-49-4

ethyl cyanoformate

121872-94-4

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

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%)
121872-94-4

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

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
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

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
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

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
121872-94-4

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

C8H3ClF2O2

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

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

(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
121872-94-4

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

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
60-34-4

methylhydrazine

121872-94-4

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

C9H9ClF2N2

Conditions
ConditionsYield
With magnesium sulfate In dichloromethane at 20℃;
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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: magnesium sulfate / dichloromethane / 20 °C
2: pyridine / tetrahydrofuran / 0 - 20 °C
View Scheme
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110877-64-0
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    2-Chloro-4,5-Difluoroacetophenone CAS NO.121872-94-4

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Chemistry

Molecule structure of 2'-Chloro-4',5'-difluoroacetophenone (CAS NO.121872-94-4):

Molecular Formula: C8H5ClF2O
Molecular Weight: 190.57 g/mol
CAS Registry Number: 121872-94-4 
Index of Refraction: 1.494
Molar Refractivity: 41.16 cm3
Molar Volume: 141.3 cm3
Polarizability: 16.31×10-24 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.348 g/cm3
Flash Point: 81.7 °C
Enthalpy of Vaporization: 44.77 kJ/mol
Boiling Point: 211.4 °C at 760 mmHg
Vapour Pressure: 0.183 mmHg at 25 °C 
InChI: InChI=1/C8H5ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3 
InChIKey: BNODNMUCMFITCS-UHFFFAOYAJ
Std. InChI: InChI=1S/C8H5ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3 
Std. InChIKey: BNODNMUCMFITCS-UHFFFAOYSA-N 
Product Categories of 2'-Chloro-4',5'-difluoroacetophenone (CAS NO.121872-94-4): Aromatic Acetophenones & Derivatives (substituted) 

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 2'-Chloro-4',5'-difluoroacetophenone (CAS NO.121872-94-4) is also named as 1-(2-Chlor-4,5-difluorphenyl)ethanon ; 1-(2-Chloro-4,5-difluorophenyl)ethanone ; Ethanone, 1-(2-chloro-4,5-difluorophenyl)- .