CAS No.3874-54-2,4-Chloro-4'-fluorobutyrophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3874-54-2
Name:	4-Chloro-4'-fluorobutyrophenone
Article Data:	29
Cas Database

Formula:	C₁₀H₁₀ClFO
Molecular Weight:	200.64
Synonyms:	Butyrophenone,4-chloro-4'-fluoro- (6CI,7CI,8CI);1-Chloro-4-(4-fluorophenyl)-4-oxobutane;3-(p-Fluorobenzoyl)propyl chloride;4-(4-Fluorophenyl)-4-oxobutyl chloride;4-Chloro-1-(4-fluorophenyl)-1-butanone;4-Chloro-1-(p-fluorophenyl)-1-oxobutane;4-p-Fluorophenyl-4-oxo-1-chlorobutane;4'-Fluoro-4-chlorobutyrophenone;p-Fluoro-4-chlorobutyrophenone;g-Chloro-p-fluorobutyrophenone;w-Chloro-p-fluorobutyrophenone;
EINECS:	223-395-3
Density:	1.183 g/cm³
Melting Point:	5-6 °C
Boiling Point:	299.1 °C at 760 mmHg
Flash Point:	134.7 °C
Solubility:	water: 0.38 g/L (20 °C)
Appearance:	slightly yellow-greenish clear oil
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38-20/21/22
Safety:	24/25-36-26
PSA:	17.07000
LogP:	3.02740

Synthetic route

: 462-06-6
fluorobenzene

: 4635-59-0
4-Chlorobutanoyl chloride

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 20℃; for 4h; Time;	90%
With aluminium trichloride In carbon disulfide at 20℃; for 2h;	73.2%
With aluminium trichloride

: 3308-94-9
4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
In(OSO2CF3)3 In acetone at 100℃; for 0.0833333h; microwave irradiation;	89%

: 352-13-6
4-flourophenylmagnesium bromide

: 4635-59-0
4-Chlorobutanoyl chloride

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
Stage #1: 4-Chlorobutanoyl chloride With 1-methyl-pyrrolidin-2-one In toluene at 0℃; for 0.5h; Stage #2: 4-flourophenylmagnesium bromide In tetrahydrofuran; toluene at -10 - 0℃; for 4.25h; chemoselective reaction;	88%

: 1183278-95-6
1-(4-chlorobut-1-yn-1-yl)-4-fluorobenzene

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With iron(III) chloride; water; silver(I) triflimide In 1,4-dioxane for 18h; regioselective reaction;	85%
With water; bis(trifluoromethanesulfonyl)amide In 1,4-dioxane at 100℃;	85%
With water In 1,4-dioxane at 80 - 120℃; regioselective reaction;	85%

: 339365-53-6
1-(4-fluorophenyl)cyclobutan-1-ol

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With manganese(II) triflate; tetrabutylammonium acetate; acetic acid; magnesium chloride In acetonitrile at 25℃; for 3.5h; Inert atmosphere; Electrochemical reaction; Sealed tube;	84%
With 1,10-Phenanthroline; tert-butylhypochlorite; silver trifluoromethanesulfonate In acetonitrile at 20℃; for 6h; Inert atmosphere; Schlenk technique; regioselective reaction;	81%

: 6139-84-0
4-chlorobutyraldehyde

: 460-00-4
1-Bromo-4-fluorobenzene

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With Quinuclidine; 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide; [Ir(C6H2F2-C5H3NCF3)2(4,4′-di-tert-butyl-2,2′-dipyridyl)]; potassium carbonate In 1,4-dioxane at 20℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;	77%
With palladium diacetate; 9,10-phenanthrenequinone; potassium hydrogencarbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In acetone at 20℃; for 24h; Reagent/catalyst; Irradiation;	71%

: 6940-76-7
1-iodo-3-chloro-propane

: 1765-93-1
4-fluoroboronic acid

: 13939-06-5, 199620-15-0
molybdenum hexacarbonyl

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
Stage #1: 1-iodo-3-chloro-propane; 4-fluoroboronic acid With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In water; benzene at 20℃; for 24h; Suzuki-Miyaura Coupling; Inert atmosphere; Irradiation; Stage #2: molybdenum hexacarbonyl With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 70℃; Suzuki-Miyaura Coupling; Inert atmosphere;	68%

...Expand

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

: 19263-25-3
3-chloropropionyl peroxide

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate; trifluorormethanesulfonic acid In tetrahydrofuran at 70 - 80℃; for 12.25h; Inert atmosphere; Schlenk technique;	60%

: 347-93-3
3-chloro-4'-fluoropropiophenone

: 3613-34-1
diethyl 4-chloromethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
With manganese; di-tert-butyl peroxide; α,α,α-trifluorotoluene at 100℃; for 48h; Inert atmosphere;	51%

: 460-00-4
1-Bromo-4-fluorobenzene

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: iodine; magnesium / tetrahydrofuran / Inert atmosphere; Reflux; Sealed tube 1.2: 0 - 20 °C / Inert atmosphere; Sealed tube 2.1: acetic acid; manganese(II) triflate; magnesium chloride; tetrabutylammonium acetate / acetonitrile / 3.5 h / 25 °C / Inert atmosphere; Electrochemical reaction; Sealed tube View Scheme

Raw Materials

3308-94-9

4635-59-0

352-13-6

462-06-6

Downstream Products

772-31-6

Total:127 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

IUPAC Name: 4-chloro-1-(4-fluorophenyl)butan-1-one
The MF of 4-chloro-4'-fluorobutyrophenone(3874-54-2): C₁₀H₁₀ClFO
The MW of 4-chloro-4'-fluorobutyrophenone(3874-54-2): 200.64
EINECS: 223-395-3
mp: 5-6 °C
bp: 130-132 °C (0.97513 mmHg)
density: 1.22 g/mL at 25 °C(lit.)
refractive index: n20/D 1.5255(lit.)
Fp: >230 °F
Water Solubility: 0.38 g/L (20 °C)
Appearance: Yellow to green liquid.
Incompatibilities: Oxidizing agents.
Stability: Stable under normal temperatures and pressures.
Decomposition: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride.
Categories: ketone;Fluorobenzene;C10;Carbonyl Compounds;Ketones
Synonyms: GAMMA-CHLORO-4-FLUOROBUTYROPHENONE;GAMMA-CHLORO-P-FLUOROBUTYROPHENONE;G-CHLORO-P-FLUOROBUTYROPHENONE;AKOS BBS-00006481;4-CHLORO-1-(4-FLUOROPHENYL)-1-BUTANONE;4-CHLORO-1-(4-FLUOROPHENYL)-1-OXOBUTANE;4-CHLORO-4'-FLUOROBUTYROPHENONE;4-CHLORO-4-FLUOROBUTYROPHENONE
The Structure of 4-chloro-4'-fluorobutyrophenone(3874-54-2):

Safety Profile

Hazard Codes:

Xn,Xi
Risk Statements: 22-36/37/38-20/21/22
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 24/25-36-26
24/25: Avoid contact with skin and eyes
36: Wear suitable protective clothing
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
Hazard Note: Irritant