2-Chloro-4'-fluoroacetophenone supplier

Name
2-Chloro-4'-fluoroacetophenone
EINECS 207-256-4
CAS No. 456-04-2
Article Data41
CAS DataBase
Density 1.263 g/cm³
Solubility Insoluble in water.
Melting Point 47-50 °C
Formula C₈H₆ClFO
Boiling Point 247 °C at 760 mmHg
Molecular Weight 172.586
Flash Point 103.2 °C
Transport Information UN 3261 8/PG 2
Appearance light yellow to yellow-beige flakes or platelets
Safety 26-28-45-36/37/39-27
Risk Codes 36/37/38-34-23/25-36
Molecular Structure
Hazard Symbols T,Xi,C
Synonyms Acetophenone,2-chloro-4'-fluoro- (6CI,7CI,8CI);2-Chloro-1-(4-fluorophenyl)-1-ethanone;2-Chloro-1-(4'-fluorophenyl)ethanone;4-Fluorophenacyl chloride;4'-Fluoro-2-chloroacetophenone;p-Fluorophenacyl chloride;a-Chloro-p-fluoroacetophenone;
PSA 17.07000
LogP 2.24720

Synthetic route

: 462-06-6
fluorobenzene

: 79-04-9
chloroacetyl chloride

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With C6H11N2(1+)Cl(1-)Al0.67Cl2.01 at 20℃; for 0.5h; Reagent/catalyst; Concentration; Temperature;	98.1%
aluminium trichloride In carbon disulfide for 2h; Heating;	83%
With aluminium trichloride	74.9%

: 403-33-8
methyl 4-flurobenzoate

: 79-11-8
chloroacetic acid

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran at -10℃; Flow reactor;	98%

: 1737-34-4
1-(chloroethynyl)-4-fluorobenzene

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With tetrafluoroboric acid; water In 2,2,2-trifluoroethanol at 80℃; for 10h;	92%

: 462-06-6
fluorobenzene

: 79-07-2
Chloroacetamide

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
Stage #1: Chloroacetamide With tin(ll) chloride In isopropyl alcohol; acetonitrile at 15℃; for 1.16667h; Stage #2: fluorobenzene In cyclohexane; isopropyl alcohol; acetonitrile at 8 - 45℃; for 9h; Temperature;	91%

: 403-42-9
1-(4-fluorophenyl)ethanone

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With N-chloro-succinimide; toluene-4-sulfonic acid In acetonitrile at 80℃; Inert atmosphere;	85%
With sodium hypochlorite at 40.8℃; Rate constant; Thermodynamic data; Kinetics; μ=0.025, var. temp. and solvents; or in the presence of α- or β-cyclodextrin in var. conc.; ΔH(excit.), ΔS(excit.);
Multi-step reaction with 2 steps 1: 59 percent / Et3N / dimethylformamide / 48 h / Heating 2: 19 percent / RuCl2(PPh3)3 / benzene / 7 h / 120 °C View Scheme

: 403-41-8
1-(4-Fluorophenyl)ethanol

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With methanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at 20℃; for 2h; Reagent/catalyst;	83%

: 403-29-2
2-bromo-4'-fluoroacetophenone

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With S4N4*SbCl5 In toluene for 3.5h; Heating;	79%
With sodium chloride In acetonitrile
With N-benzyl-N,N,N-triethylammonium chloride; benzenesulfonyl chloride In water at 20℃; for 2h; Solvent; Green chemistry;

: 405-99-2
para-fluorostyrene

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride In dichloromethane; acetone at 40℃; for 40h; Electrochemical reaction;	68%
With iron(III) chloride; potassium chloride; oxygen; toluene-4-sulfonic acid In tert-butyl methyl ether at 20℃; Irradiation; Green chemistry;	67%
With magnesium(II) chloride hexahydrate; cobalt(II) chloride hexahydrate; oxygen; lithium perchlorate In dichloromethane; acetone at 40℃; for 10h; Electrolysis; Sealed tube; chemoselective reaction;	62%

: 403-42-9
1-(4-fluorophenyl)ethanone

A: 5157-58-4
2,2-dichloro-1-(4-fluorophenyl)-ethan-1-one

B: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With chloro-trimethyl-silane; potassium nitrate In dichloromethane at 60℃; for 48h;	A n/a B 67%

: 766-98-3
1-ethynyl-4-fluorobenzene

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With hydrogenchloride; iodine In dimethyl sulfoxide at 20℃; for 16h;	67%

: 2547-61-7
Trichloromethanesulfonyl chloride

: 58518-77-7
((1-(4-fluorophenyl)vinyl)oxy)trimethylsilane

A: 456-04-2
2-Chloro-4'-fluoroacetophenone

B: 3,3-dichloro-1-(4-fluorophenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With ruthenium(II) In benzene at 120℃; for 7h; sealed;	A 58% B 21%

...Expand

: 459-56-3
4-fluorobenzylic alcohol

A: 456-22-4
4-Fluorobenzoic acid

B: 459-57-4
4-fluorobenzaldehyde

C: 403-42-9
1-(4-fluorophenyl)ethanone

D: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With potassium tetrakis-μ-pyrophosphitodiplatinate(II); dichloromethane; tetrabutyl-ammonium chloride In water at 20℃; for 8h; Inert atmosphere; Irradiation;	A n/a B 45% C n/a D n/a

...Expand

: 421-83-0
trifluoromethane sulfonyl chloride

: 58518-77-7
((1-(4-fluorophenyl)vinyl)oxy)trimethylsilane

A: 456-04-2
2-Chloro-4'-fluoroacetophenone

B: 1-(4-fluorophenyl)-3,3,3-trifluoropropane-1-one

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride In benzene at 120℃; for 7h;	A 19% B 24%

...Expand

: 766-98-3
1-ethynyl-4-fluorobenzene

: 64-19-7
acetic acid

A: 1737-34-4
1-(chloroethynyl)-4-fluorobenzene

B: 5157-58-4
2,2-dichloro-1-(4-fluorophenyl)-ethan-1-one

C: 403-42-9
1-(4-fluorophenyl)ethanone

D: 456-04-2
2-Chloro-4'-fluoroacetophenone

E: 1-((Z)-1,2-Dichloro-vinyl)-4-fluoro-benzene

F: 87992-01-6
2-chloro-1-(4-fluorophenyl)butane-1,3-dione

Conditions

Conditions	Yield
With perchloric acid at 40℃; Rate constant; Product distribution; Mechanism;	A 3 % Chromat. B 24 % Chromat. C 8 % Chromat. D 34 % Chromat. E 14 % Chromat. F 9 % Chromat.

...Expand

: 75130-83-5
3-(5-chloropyrid-2-yl)-4-(4-fluorophenyl)-thiazolidine-2-thione

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
In chloroform; [2-(4-fluorophenyl)-2-oxo]-ethyl 5-chloropyrid-2-yldithiocarbamate; acetonitrile

: 403-31-6
4-fluoro-2-hydroxy-acetophenone

A: 1025506-04-0
4-(4-fluorophenyl)-5H-[1,2,3]oxathiazole 2,2-dioxide

B: C8H8FNO4S

C: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With pyridine; formic acid; isocyanate de chlorosulfonyle In acetonitrile at 0 - 10℃; Inert atmosphere;

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 343337-74-6
N-trifluoromethylsulfonyl-(4-fluorophenyl)-carboximidoyl chloride

: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With triethylamine In diethyl ether Inert atmosphere;

: 343337-74-6
N-trifluoromethylsulfonyl-(4-fluorophenyl)-carboximidoyl chloride

: 18107-18-1
diazomethyl-trimethyl-silane

A: 421-85-2
Trifluoromethanesulfonamide

B: 456-04-2
2-Chloro-4'-fluoroacetophenone

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran Inert atmosphere;

...Expand

: 1-[4-(1-naphthyl)butyl]piperazine dihydrochloride

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 932028-02-9
1-(4-fluorophenyl)-2-{4-[4-(1-naphthyl)butyl]piperazin-1-yl}ethanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In chloroform for 3h; Heating;	100%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 126534-43-8
[R]-1-chloro-2-(4-fluorophenyl)-2-ethanol

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4'-fluoroacetophenone With borane-THF; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran at 20℃; for 105h; Inert atmosphere; Stage #2: With methanol In tetrahydrofuran Inert atmosphere;	100%
With Almag CRED A131; NADP; glucose dehydrogenase In water; dimethyl sulfoxide; isopropyl alcohol at 20℃; pH=7; Enzymatic reaction;	96%
With formic acid; C25H29N2O3RuS; potassium formate In water; ethyl acetate at 60℃; for 4h; Inert atmosphere; enantioselective reaction;	94%

: 13170-43-9
(trimethylsilyl)methylmagnesium chloride

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 2-(4-fluorophenyl)-2-trimethylsilylmethyloxirane

Conditions

Conditions	Yield
With sodium chloride In N-methyl-acetamide; diethyl ether; hexane; water	100%
With sodium chloride In N-methyl-acetamide; diethyl ether; hexane; water	100%

: 3069-67-8
2-methyl-1,3,4-oxadiazol-5(4H)-one

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 1068975-19-8
3-[2-(4-fluoro-phenyl)-2-oxo-ethyl]-5-methyl-3H-1,3,4-oxadiazol-2-one

Conditions

Conditions	Yield
Stage #1: 2-methyl-1,3,4-oxadiazol-5(4H)-one With sodium methylate In methanol at 20℃; for 0.166667h; Stage #2: 2-Chloro-4'-fluoroacetophenone; tetrabutylammomium bromide In chloroform at 20℃; Heating / reflux;	100%

: 5706-81-0
2'-methylbenzaldehyde-thiosemicarbazone

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 1011943-68-2
1-(2-methylbenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine

Conditions

Conditions	Yield
In isopropyl alcohol Reflux;	100%

: 5241-64-5
Boc-D-Trp-OH

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 1411994-50-7
C24H25FN2O5

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;	100%

: 39512-49-7
4-(4-chlorophenyl)-4-hydroxypiperidine

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: C19H19ClFNO2

Conditions

Conditions	Yield
With potassium carbonate In ethanol Inert atmosphere;	100%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 126534-42-7
(S)-1-chloro-2-hydroxy-2-(p-fluorophenyl)ethane

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; f-amphox; hydrogen; potassium carbonate In ethanol; hexane at 25 - 30℃; under 38002.6 Torr; for 4h; Inert atmosphere; Glovebox; Autoclave; enantioselective reaction;	99%
With Almag CRED A161; NADP; glucose dehydrogenase In water; dimethyl sulfoxide; isopropyl alcohol at 20℃; pH=7; Enzymatic reaction;	96%
With dimethylsulfide borane complex; C72H66N6O9 In toluene at 30℃; for 2.5h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	95%

: 16629-40-6
4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 325694-00-6
1-(4-fluorophenyl)-2-[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]ethanone

Conditions

Conditions	Yield
With potassium carbonate In acetone for 3h; Heating / reflux;	99%

: 141-97-9
ethyl acetoacetate

: 3218-02-8
cyclohexylmethylamine

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: ethyl 1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

Conditions

Conditions	Yield
Stage #1: ethyl acetoacetate With sodium hydride In tetrahydrofuran; paraffin oil at 0℃; for 0.5h; Stage #2: 2-Chloro-4'-fluoroacetophenone With potassium iodide In tetrahydrofuran; paraffin oil at 20℃; for 2h; Stage #3: cyclohexylmethylamine In acetic acid at 80℃; for 18h;	97%

...Expand

: 57-41-0
phenythoin

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 3-(2-(4-fluorophenyl)-2-oxoethyl)-5,5-diphenylimidazolidine-2,4-dione

Conditions

Conditions	Yield
Stage #1: phenythoin With potassium carbonate In acetone at 20℃; for 0.333333h; Stage #2: 2-Chloro-4'-fluoroacetophenone In acetone at 20℃; for 24.33h;	96%
Stage #1: phenythoin With potassium carbonate In acetone at 20℃; for 0.5h; Stage #2: 2-Chloro-4'-fluoroacetophenone In acetone at 20℃; for 24h;	45%
With potassium carbonate In acetone at 20℃; for 24h;

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 403-31-6
4-fluoro-2-hydroxy-acetophenone

Conditions

Conditions	Yield
With potassium iodide; sodium hydroxide In dimethyl sulfoxide at 100℃; for 5h;	95.5%
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 10 h / 90 °C 2: potassium carbonate; methanol / 2 h / 20 °C View Scheme

: 7677-24-9
trimethylsilyl cyanide

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 3-chloro-2-(4-fluorophenyl)-2-(trimethylsilanyloxy)propionitrile

Conditions

Conditions	Yield
With tris[N,N-bis(trimethylsilyl)amide]gadolinium(III); (2S,3S,4R)-2-Ph2P(O)CH2-3-OH-4-(2-OH-4,5-F2-C6H2)tetraHpyran; propiononitrile at -30℃; for 3h;	95%

: 6292-77-9
2-(3,4-dimethoxybenzylidene)hydrazine-1-carbothioamide

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 464881-93-4
1-(3,4-dimethoxybenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine

Conditions

Conditions	Yield
In isopropyl alcohol Reflux;	95%

: 19815-03-3
1-hydroxy-3-methyl-7,8,9,10-tetrahydro-6H-dibenzopyran-6-one

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 1-[2-(4-fluorophenyl)-2-oxoethoxy]-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

Conditions

Conditions	Yield
Stage #1: 1-hydroxy-3-methyl-7,8,9,10-tetrahydro-6H-dibenzopyran-6-one With potassium carbonate In acetone at 50 - 56℃; Williamson reaction; Stage #2: 2-Chloro-4'-fluoroacetophenone In acetone for 1h; Williamson reaction; Heating;	94%

: 55047-37-5
3-Hydroxy-4-methyl-7,8,9,10-tetrahydro-6H-dibenzopyran-6-one

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 3-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

Conditions

Conditions	Yield
Stage #1: 3-Hydroxy-4-methyl-7,8,9,10-tetrahydro-6H-dibenzopyran-6-one With potassium carbonate In acetone at 50 - 56℃; Williamson reaction; Stage #2: 2-Chloro-4'-fluoroacetophenone In acetone for 1h; Williamson reaction; Heating;	94%

: 4334-74-1
4-methoxybenzylidene thiosemicarbazone

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 364057-81-8
1-(4-methoxybenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine

Conditions

Conditions	Yield
In isopropyl alcohol Reflux;	94%

: 38205-60-6
5-acetyl-2,4-dimethylthiazole

: 79-19-6
thiosemicarbazide

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 2-(4-(4-fluorophenyl)thiazol-2-yl)-1-(1-(2,4-dimethylthiazol-5-yl)ethylidene)hydrazine

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solvent;	94%

...Expand

: 120-43-4
4-ethoxycarbonylpiperazine

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 89011-45-0
ethyl 4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate

Conditions

Conditions	Yield
In chloroform 1)1.5 h at room temperature 2) reflux for 1 h;	93%
In chloroform for 3h; Heating;
In chloroform Heating;
In chloroform for 3h; Heating / reflux;

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 61592-48-1
2-Chloro-1-(4-fluorophenyl)ethanol

Conditions

Conditions	Yield
With formic acid; 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; sodium formate In water at 80℃; for 18h; pH=4.5; Inert atmosphere; chemoselective reaction;	93%
With sodium tetrahydroborate In methanol at 0 - 20℃; for 0.666667h;	93%
With sodium tetrahydroborate In methanol at 0 - 20℃;	80%

: 55047-28-4
7-hydroxy-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 307548-96-5
7-[2-(4-fluorophenyl)-2-oxoethoxy]-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	93%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 370583-62-3
7-hydroxy-4-(4-methoxyphenyl)-8-methyl-2H-2-chromenone

: 376383-09-4
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-(4-methoxyphenyl)-8-methyl-2H-2-chromenone

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	93%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 118887-70-0
2-azido-1-(4-fluoro-phenyl)-ethanone

Conditions

Conditions	Yield
With sodium azide In glycerol at 25℃; for 3h;	93%
With azide on Amberlite(R) IRA 900 In dichloromethane at 30℃; for 0.5h;

: 462-06-6
fluorobenzene

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 366-68-7
4,4'-difluorodeoxybenzoin

Conditions

Conditions	Yield
Stage #1: fluorobenzene; 2-Chloro-4'-fluoroacetophenone With aluminum (III) chloride at 20 - 50℃; for 14.25h; Friedel-Crafts Acylation; Cooling with ice; Inert atmosphere; Stage #2: With hydrogenchloride In dichloromethane; water	93%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 10387-40-3
potassium thioacetate

: 181931-41-9
S-acetyl-2-mercapto-4’-fluoroacetophenone

Conditions

Conditions	Yield
In ethanol for 24h; Ambient temperature;	92%

: 21260-41-3
7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 307548-75-0
7-[2-(4-fluorophenyl)-2-oxoethoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	92%

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 18511-62-1, 53631-23-5, 134356-74-4, 134356-73-3
R-(-)-2-(4-fluorophenyl)oxirane

Conditions

Conditions	Yield
With sodium formate In water at 25℃; enantioselective reaction;	92%
Multi-step reaction with 2 steps 1: NaBH4; 2-(3-NO2-Ph)-1,3,2-dioxaborolane-(4R,5R)-dicarboxylic acid / tetrahydrofuran / 25 °C 2: aq. NaOH / tetrahydrofuran / 25 °C View Scheme
Multi-step reaction with 3 steps 1: 24.4 g / sodium borohydride / methanol / 1.5 h / Ambient temperature 3: 5.7 g / potassium carbonate / methanol; H2O / 3 h / Ambient temperature View Scheme

: 5706-83-2
4-methylbenzaldehyde thiosemicarbazone

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 402584-91-2
1-(4-methylbenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine

Conditions

Conditions	Yield
In isopropyl alcohol Reflux;	92%

2-Chloro-4'-fluoroacetophenone Specification

The IUPAC name of Ethanone,2-chloro-1-(4-fluorophenyl)- is 2-chloro-1-(4-fluorophenyl)ethanone. With the CAS registry number 456-04-2, it is also named as alpha-Chloro-p-fluoroacetophenone. The product's categories are Acetylhalide; (Intermediate of Fluvastatin); Acetophenone Series. Besides, it is light yellow to yellow-beige flakes or platelets, which should be stored in sealed container in ventilated and dry place to avoid contact with other oxides. In addition, its molecular formula is C₈H₆ClFO and molecular weight is 172.59.

The other characteristics of this product can be summarized as: (1)EINECS: 207-256-4; (2)ACD/LogP: 1.90; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.9; (5)ACD/LogD (pH 7.4): 1.9; (6)ACD/BCF (pH 5.5): 16.44; (7)ACD/BCF (pH 7.4): 16.44; (8)ACD/KOC (pH 5.5): 258.15; (9)ACD/KOC (pH 7.4): 258.15; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 41.12 cm³; (15)Molar Volume: 136.5 cm³; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.263 g/cm³; (18)Flash Point: 103.2 °C; (19)Melting point: 47-50 °C; (20)Enthalpy of Vaporization: 48.41 kJ/mol; (21)Boiling Point: 247 °C at 760 mmHg; (22)Vapour Pressure: 0.0263 mmHg at 25 °C.

Preparation of Ethanone,2-chloro-1-(4-fluorophenyl)-: this chemical can be prepared by Fluorobenzene and Chloroacetyl chloride.

This reaction needs AlCl₃ and CS₂ by heating for 2 hours. The yield is 83 %.

Uses of Ethanone,2-chloro-1-(4-fluorophenyl)-: this chemical is used as pharmaceutical intermediates. Furthermore, it can react with Aniline to get N-(4-Fluorophenacyl)-anilin.

This reaction needs NaOAc. The yield is 44 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also toxic by inhalation and if swallowed. Additionally, it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. And please off immediately all contaminated clothing. After contact with skin, please wash immediately with plenty of soap-suds. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1ccc(F)cc1)CCl
(2)InChI: InChI=1/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
(3)InChIKey: UJZWJOQRSMOFMA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
(5)Std. InChIKey: UJZWJOQRSMOFMA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	89mg/kg (89mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05172,

Product Name

2-Chloro-4'-fluoroacetophenone

Synthetic route

2-Chloro-4'-fluoroacetophenone Specification

Related Products

Hot Products